Glycoside
GD022279
Name:
NORALPINDENOSIDE BFormula:
C31H52O11Smiles:
C=C(C)[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(C)C1CC2C(CCC3C(C)(C)C(O)CCC23C)C1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 600.75 | Num_heavy_atoms: | 42 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD15122
Formula: C19H32O2
Smiles:
C=C(C)C1CC2C(CCC3C(C)(C)C(O)CCC23C)C1O| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.46 | Num_heavy_atoms: | 21 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
