Glycoside
...
GD131234

Name:
Petiolin I

Formula:
C28H26O12

Smiles:
CC(=O)OC1C(C)OC(Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)C(OC(=O)c2ccccc2)C1O

Aglycone:
O=C(O)c1ccccc1.O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.25
AlogP: 2.38 Num_rotatable_bonds: 7
MolWt: 554.5 Num_heavy_atoms: 40
TPSA: 189.28 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD46861
Formula: C13H10O6

Smiles:
O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O
HBA: 6 RingCount: 2
HBD: 5 FractionCSP3: 0.0
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 262.22 Num_heavy_atoms: 19
TPSA: 118.22 NumAromaticRings: 2

Sugarmoiety
SD00299

CC(=O)OC1C(C)OC(O)C(O)C1O