Glycoside
GD023545
Name:
GOYAGLICOSIDE BFormula:
C37H60O9Smiles:
CO[C@@H]1O[C@@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@H]([C@H](C)CC=CC(C)(C)O)CC[C@]41C)[C@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3(C)CAglycone:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD15823
Formula: C31H50O4
Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
