Glycoside
...
GD145636

Name:
None

Formula:
C46H78O19

Smiles:
COC1C(O)COC(OC2COC(OC3COC(OCCC(C=CC(C)C4C(O)C(O)C5C4(C)CCC4C6(C)CCC(O)C(O)C6C(O)CC45O)C(C)C)C(O)C3O)C(O)C2OC)C1O

Aglycone:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO

Sugarmoiety:
COC1C(O)COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2OC)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: -1.45 Num_rotatable_bonds: 14
MolWt: 935.11 Num_heavy_atoms: 65
TPSA: 296.37 NumAromaticRings: 0

Unique Aglycone
AD13777
Formula: C29H50O7

Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO
HBA: 7 RingCount: 4
HBD: 7 FractionCSP3: 0.93
AlogP: 1.85 Num_rotatable_bonds: 6
MolWt: 510.71 Num_heavy_atoms: 36
TPSA: 141.61 NumAromaticRings: 0

Sugarmoiety
SD00191

COC1C(O)COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2OC)C1O