Glycoside
...
GD132265

Name:
Leufolin A

Formula:
C30H28O12

Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc(C3CC(=O)c4c(O)cc(O)cc4O3)cc2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.27
AlogP: 1.95 Num_rotatable_bonds: 7
MolWt: 580.54 Num_heavy_atoms: 42
TPSA: 192.44 NumAromaticRings: 3

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
AD03294
Formula: C15H12O5

Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.13
AlogP: 2.51 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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