Glycoside
GD022399
Name:
10-(4-hydroxy-3,5-dimethoxyphenyl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1(9),2,7-trien-12-oneFormula:
C27H30O13Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OAglycone:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD04665
Formula: C21H20O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
