Glycoside
...
GD134435

Name:
None

Formula:
C66H108O32

Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(O)CC(C)C)C8CCC9(C)C7=CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C3O)C2O)C1O

Aglycone:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 16 FractionCSP3: 0.95
AlogP: -4.42 Num_rotatable_bonds: 22
MolWt: 1413.56 Num_heavy_atoms: 98
TPSA: 479.2 NumAromaticRings: 0

Unique Aglycone
AD20003
Formula: C30H48O4

Smiles:
CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.05 Num_rotatable_bonds: 4
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD07801

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(O)C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C3O)C2O)C1O