Glycoside
...
GD138830

Name:
None

Formula:
C67H108O33

Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CC(O)C78C(=O)OC(C)(CCC=C(C)C)C7(O)CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O

Aglycone:
CC(C)=CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 17 FractionCSP3: 0.93
AlogP: -5.0 Num_rotatable_bonds: 21
MolWt: 1441.57 Num_heavy_atoms: 100
TPSA: 499.43 NumAromaticRings: 0

Unique Aglycone
AD56011
Formula: C30H46O5

Smiles:
CC(C)=CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.08 Num_rotatable_bonds: 3
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD02623

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O