Glycoside
GD007808
Name:
2-{[3,4-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-decahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H38O9Smiles:
CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](C1)[C@](C)(O)[C@@H](O)C[C@H]2O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C1CCC2(C)C(O)CC(O)C(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.53 | Num_heavy_atoms: | 30 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD06321
Formula: C15H28O4
Smiles:
CC(C)(O)C1CCC2(C)C(O)CC(O)C(C)(O)C2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.39 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
