Glycoside
GD113646
Name:
stigmasteryl 3-beta-D-glucosideFormula:
C35H58O6Smiles:
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD15110
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
