Glycoside
...
GD139071

Name:
None

Formula:
C29H34O14

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4CC(C)C(O)C(O)C4O)cc3o2)cc1O

Aglycone:
CC1CC(O)C(O)C(O)C1O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.48
AlogP: -0.43 Num_rotatable_bonds: 7
MolWt: 606.58 Num_heavy_atoms: 43
TPSA: 228.97 NumAromaticRings: 3

Unique Aglycone
AD04393
Formula: C16H12O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3
AD46185
Formula: C7H14O4

Smiles:
CC1CC(O)C(O)C(O)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.53 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00003

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