Glycoside
...
GD145957

Name:
Volubiloside B

Formula:
C47H78O20

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5C4C(O)C(O)C4(C)C(C(C)O)CCC54O)C3)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.96
AlogP: -0.89 Num_rotatable_bonds: 12
MolWt: 963.12 Num_heavy_atoms: 67
TPSA: 294.6 NumAromaticRings: 0

Unique Aglycone
AD45162
Formula: C21H34O5

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.9
AlogP: 1.36 Num_rotatable_bonds: 1
MolWt: 366.5 Num_heavy_atoms: 26
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD04489

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O