Glycoside
...
GD155135

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

Formula:
C58H86O18

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C(C)=O)C(OC(C)=O)C(OC(=O)c7ccccc7)C65OC(=O)CC(C)C)C4)CC3OC)CC2OC)OC(C)C1OC(C)=O

Aglycone:
CC(=O)OC1C(C(C)=O)C2(C)CCC3C(CCC4CC(O)CCC43C)C2(OC(=O)CC(C)C)C1OC(=O)c1ccccc1

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 0 FractionCSP3: 0.81
AlogP: 7.86 Num_rotatable_bonds: 17
MolWt: 1071.31 Num_heavy_atoms: 76
TPSA: 205.34 NumAromaticRings: 1

Unique Aglycone
AD61552
Formula: C35H48O8

Smiles:
CC(=O)OC1C(C(C)=O)C2(C)CCC3C(CCC4CC(O)CCC43C)C2(OC(=O)CC(C)C)C1OC(=O)c1ccccc1
HBA: 8 RingCount: 5
HBD: 1 FractionCSP3: 0.71
AlogP: 5.68 Num_rotatable_bonds: 7
MolWt: 596.76 Num_heavy_atoms: 43
TPSA: 116.2 NumAromaticRings: 1

Sugarmoiety
SD10319

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OC(C)=O