Glycoside
...
GD034498

Name:
None

Formula:
C30H40O8

Smiles:
C=C1CC[C@H](C(C)C)C=C[C@@](C)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2ccccc2)CCC1=O

Aglycone:
C=C1CCC(C(C)C)C=CC(C)(O)CCC1=O.O=C(O)C=Cc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.53
AlogP: 3.35 Num_rotatable_bonds: 7
MolWt: 528.64 Num_heavy_atoms: 38
TPSA: 122.52 NumAromaticRings: 1

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD21927
Formula: C15H24O2

Smiles:
C=C1CCC(C(C)C)C=CC(C)(O)CCC1=O
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 3.27 Num_rotatable_bonds: 1
MolWt: 236.35 Num_heavy_atoms: 17
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O