Glycoside
GD001517
Name:
6Alpha-O-Beta-D-Quinovopyranosyl-(25S)-5Alpha-Spirostan-3Beta-OlFormula:
C33H54O8Smiles:
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD01515
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
