Glycoside
GD013391
Name:
STEMODINOSIDE BFormula:
C26H44O7Smiles:
CC1(C)C[C@H](O)C[C@]2(C)[C@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@]3(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CC(O)CC2(C)C1CCC1CC3CC12CCC3(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.63 | Num_heavy_atoms: | 33 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD09997
Formula: C20H34O2
Smiles:
CC1(C)CC(O)CC2(C)C1CCC1CC3CC12CCC3(C)O| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
