Glycoside
...
GD002554

Name:
IXEROCHINOSIDE

Formula:
C37H40O13

Smiles:
C=C1C[C@H](OC(=O)Cc2ccc(O)cc2)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]2C(=C)[C@H](O[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12

Aglycone:
C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12.COC(=O)Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.43
AlogP: 1.78 Num_rotatable_bonds: 9
MolWt: 692.71 Num_heavy_atoms: 50
TPSA: 198.51 NumAromaticRings: 2

Unique Aglycone
AD01149
Formula: C23H24O6

Smiles:
C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.39
AlogP: 2.46 Num_rotatable_bonds: 3
MolWt: 396.44 Num_heavy_atoms: 29
TPSA: 93.06 NumAromaticRings: 1
AD02427
Formula: C9H10O3

Smiles:
COC(=O)Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.11 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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