Glycoside
GD126681
Name:
8-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-15-hydroxy-1,12-dimethyl-6-(propan-2-yl)-5,10-dioxatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-2,6-diene-4,11-dioneFormula:
C29H40O14Smiles:
CC(C)c1oc(=O)cc2c1C(OC1OCC(OC3OCC(O)C(O)C3O)C(O)C1O)C1OC(=O)C3(C)CCC(O)C2(C)C13Aglycone:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCC(O)C2(C)C13Sugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 612.62 | Num_heavy_atoms: | 43 |
| TPSA: | 214.81 | 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 |
