Glycoside
GD133033
Name:
8-hydroxy-1,12-dimethyl-6-(propan-2-yl)-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,10-dioxatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-2,6-diene-4,11-dioneFormula:
C25H34O11Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C2(C)C13Aglycone:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCC(O)C2(C)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.54 | Num_heavy_atoms: | 36 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD50864
Formula: C19H24O6
Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCC(O)C2(C)C13| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
