Glycoside
GD134550
Name:
4-hydroxy-1,4a-dimethyl-7-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]propan-2-yl}-decahydronaphthalen-2-oneFormula:
C21H36O7Smiles:
CC1OC(OC(C)(C)C2CCC3(C)C(O)CC(=O)C(C)C3C2)C(O)C(O)C1OAglycone:
CC1C(=O)CC(O)C2(C)CCC(C(C)(C)O)CC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54431
Formula: C15H26O3
Smiles:
CC1C(=O)CC(O)C2(C)CCC(C(C)(C)O)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
