Glycoside
GD011871
Name:
NORALPINDENOSIDE AFormula:
C31H52O12Smiles:
C=C(CO)[C@@H]1C[C@@H]2[C@H](CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]32C)[C@H]1OAglycone:
C=C(CO)C1CC2C(CCC3C(C)(C)C(O)CCC23C)C1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.75 | Num_heavy_atoms: | 43 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD09007
Formula: C19H32O3
Smiles:
C=C(CO)C1CC2C(CCC3C(C)(C)C(O)CCC23C)C1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.46 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
