Glycoside
GD145249
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C30H28O14Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC(=O)c5ccc(O)cc5)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.54 | Num_heavy_atoms: | 44 |
| TPSA: | 214.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD11730
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
