Glycoside
...
GD148036

Name:
10-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C51H78O17

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(OC(C)=O)C(OC(=O)c3ccccc3)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 4 FractionCSP3: 0.84
AlogP: 4.46 Num_rotatable_bonds: 13
MolWt: 963.17 Num_heavy_atoms: 68
TPSA: 216.59 NumAromaticRings: 1

Unique Aglycone
AD58791
Formula: C30H42O7

Smiles:
CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)O)C2(C)C1OC(=O)c1ccccc1
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.73
AlogP: 3.88 Num_rotatable_bonds: 4
MolWt: 514.66 Num_heavy_atoms: 37
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1