Glycoside
...
GD030524

Name:
Isoaloeresin D

Formula:
C29H32O11

Smiles:
COc1cc(C)c2c(=O)cc(C[C@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1

Aglycone:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.38
AlogP: 1.52 Num_rotatable_bonds: 8
MolWt: 556.56 Num_heavy_atoms: 40
TPSA: 176.12 NumAromaticRings: 3

Unique Aglycone
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
AD17365
Formula: C14H16O4

Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.36
AlogP: 2.03 Num_rotatable_bonds: 3
MolWt: 248.28 Num_heavy_atoms: 18
TPSA: 59.67 NumAromaticRings: 2

Sugarmoiety
SD00003

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