Glycoside
...
GD121260

Name:
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-5-[({[2-({[(5-{[2-(2-methylprop-2-enamido)ethyl]sulfanyl}pentyl)oxy]carbonyl}amino)ethyl]carbamoyl}oxy)methyl]-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acid

Formula:
C36H59O22N3S

Smiles:
C=C(C)C(O)=NCCSCCCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
C=C(C)C(O)=NCCSCCCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1O

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

Other Identifiers

Properties
HBA: 25 RingCount: 4
HBD: 12 FractionCSP3: 0.83
AlogP: -3.4 Num_rotatable_bonds: 22
MolWt: 917.93 Num_heavy_atoms: 62
TPSA: 379.98 NumAromaticRings: 0

Unique Aglycone
AD48797
Formula: C24H39O12N3S

Smiles:
C=C(C)C(O)=NCCSCCCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1O
HBA: 15 RingCount: 2
HBD: 6 FractionCSP3: 0.75
AlogP: 0.95 Num_rotatable_bonds: 16
MolWt: 593.65 Num_heavy_atoms: 40
TPSA: 221.68 NumAromaticRings: 0

Sugarmoiety
SD00078

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