Glycoside
...
GD000938

Name:
None

Formula:
C29H32O11

Smiles:
CCCC(=O)O[C@@H]1[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H](C)[C@H](O)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.45
AlogP: 3.09 Num_rotatable_bonds: 8
MolWt: 556.56 Num_heavy_atoms: 40
TPSA: 165.89 NumAromaticRings: 2

Unique Aglycone
AD00700
Formula: C15H10O5

Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.07
AlogP: 1.89 Num_rotatable_bonds: 0
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 94.83 NumAromaticRings: 2
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O