Glycoside
GD013371
Name:
SUBALPINOSIDEFormula:
C37H56O14Smiles:
CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](C)O5)CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.84 | Num_heavy_atoms: | 51 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
