Glycoside
...
GD148787

Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-({[({6,8,10,12,14,16,20-heptacarbamoyl-18-[3-({[(2-carboxy-6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl)methyl]carbamoyl}oxy)propyl]-20-methyl-4-(2,4,6,8,10-pentacarbamoyl-10-methyldecyl)icosyl}oxy)carbonyl]amino}methyl)-7-hydroxy-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acid

Formula:
C91H150O50N14

Smiles:
CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CC(CC(CC(CC(CC(CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O

Aglycone:
CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1O)CC(CC(CC(CC(CC(CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1O)CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 64 RingCount: 8
HBD: 44 FractionCSP3: 0.82
AlogP: -2.81 Num_rotatable_bonds: 64
MolWt: 2240.25 Num_heavy_atoms: 155
TPSA: 1140.1 NumAromaticRings: 0

Unique Aglycone
AD59521
Formula: C67H110O30N14

Smiles:
CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1O)CC(CC(CC(CC(CC(CC(CC(CCCOC(O)=NCC1OC2OC(C)(C(=O)O)OC2C(O)C1O)CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O
HBA: 44 RingCount: 4
HBD: 32 FractionCSP3: 0.76
AlogP: 5.89 Num_rotatable_bonds: 52
MolWt: 1591.69 Num_heavy_atoms: 111
TPSA: 823.5 NumAromaticRings: 0

Sugarmoiety
SD00625

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O