Glycoside
...
GD000223

Name:
ALVARADOIN H

Formula:
C27H28O10

Smiles:
CC(=O)O[C@@H]1O[C@H]([C@@H]2c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O

Aglycone:
CC(C)=CC(=O)O.Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.37
AlogP: 1.97 Num_rotatable_bonds: 4
MolWt: 512.51 Num_heavy_atoms: 37
TPSA: 159.82 NumAromaticRings: 2

Unique Aglycone
AD00258
Formula: C5H8O2

Smiles:
CC(C)=CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD00259
Formula: C15H12O3

Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.13
AlogP: 2.54 Num_rotatable_bonds: 0
MolWt: 240.26 Num_heavy_atoms: 18
TPSA: 57.53 NumAromaticRings: 2

Sugarmoiety
SD00101

CC(=O)OC1OC(O)C(O)C(O)C1O