Glycoside
...
GD132666

Name:
Anisofolin A

Formula:
C39H32O14

Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.15
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 724.67 Num_heavy_atoms: 53
TPSA: 222.65 NumAromaticRings: 5

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD00529
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O