Glycoside
...
GD108498

Name:
7-O-Methylaloeresin A

Formula:
C29H30O11

Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(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: 4 FractionCSP3: 0.34
AlogP: 1.73 Num_rotatable_bonds: 8
MolWt: 554.55 Num_heavy_atoms: 40
TPSA: 172.96 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
AD44439
Formula: C14H14O4

Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.29
AlogP: 2.24 Num_rotatable_bonds: 3
MolWt: 246.26 Num_heavy_atoms: 18
TPSA: 56.51 NumAromaticRings: 2

Sugarmoiety
SD00003

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