Glycoside
...
GD138510

Name:
Aquilegioside B

Formula:
C41H64O14

Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O

Aglycone:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(O)CCC56CC46CCC23C)OC1=O

Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 8 FractionCSP3: 0.93
AlogP: 0.92 Num_rotatable_bonds: 8
MolWt: 780.95 Num_heavy_atoms: 55
TPSA: 225.06 NumAromaticRings: 0

Unique Aglycone
AD55901
Formula: C30H46O5

Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(O)CCC56CC46CCC23C)OC1=O
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.9
AlogP: 4.63 Num_rotatable_bonds: 3
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00347

OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O