Glycoside
GD012998
Name:
1-O-3,4-Dimethoxy-5-Hydroxyphenyl-(6-O-3,5-Dimethoxygalloyl)-Beta-D-GlucopyranosideFormula:
C23H28O13Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3cc(O)c(OC)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(O)cc(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD01391
Formula: C8H10O4
Smiles:
COc1cc(O)cc(O)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
