Glycoside
GD155475
Name:
14-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8-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:
C31H44O16Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CC(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)CC2(C)C13Aglycone:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CC(O)CC2(C)C13Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.68 | Num_heavy_atoms: | 47 |
| TPSA: | 255.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD50531
Formula: C19H24O6
Smiles:
CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CC(O)CC2(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 |
