Glycoside
...
GD153261

Name:
1-[11-(acetyloxy)-1,3a-dihydroxy-7-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl pyridine-3-carboxylate

Formula:
C55H85O23N

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)c5cccnc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 9 FractionCSP3: 0.87
AlogP: 0.14 Num_rotatable_bonds: 16
MolWt: 1128.27 Num_heavy_atoms: 79
TPSA: 339.86 NumAromaticRings: 1

Unique Aglycone
AD48661
Formula: C29H41O7N

Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3cccnc3)C12C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 3.42 Num_rotatable_bonds: 4
MolWt: 515.65 Num_heavy_atoms: 37
TPSA: 126.18 NumAromaticRings: 1

Sugarmoiety
SD05396

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1