Glycoside
GD025008
Name:
POLYGONATOSIDE CFormula:
C39H60O15Smiles:
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]5[C@H](C[C@H]43)O[C@]3(OC[C@H](CO)C[C@H]3O)[C@@H]5C)C2)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12OCC(CO)CC2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD16629
Formula: C27H40O6
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12OCC(CO)CC2O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
