Glycoside
GD001449
Name:
10-(4-hydroxy-3,5-dimethoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1,3(7),8-trien-12-oneFormula:
C27H30O13Smiles:
COc1cc([C@@H]2c3cc4c(c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OAglycone:
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD01454
Formula: C21H20O8
Smiles:
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
