Glycoside
...
GD142278

Name:
None

Formula:
C25H24O12

Smiles:
COc1ccc(-c2coc3cc(OC4OC(CO)C(OC(=O)CC(=O)O)C(O)C4O)ccc3c2=O)cc1

Aglycone:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=C(O)CC(=O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.32
AlogP: 0.67 Num_rotatable_bonds: 8
MolWt: 516.46 Num_heavy_atoms: 37
TPSA: 182.19 NumAromaticRings: 3

Unique Aglycone
AD08007
Formula: C16H12O4

Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.06
AlogP: 3.17 Num_rotatable_bonds: 2
MolWt: 268.27 Num_heavy_atoms: 20
TPSA: 59.67 NumAromaticRings: 3
AD13454
Formula: C3H4O4

Smiles:
O=C(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 104.06 Num_heavy_atoms: 7
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00003

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