Glycoside
GD019083
Name:
GENTIRIGEOSIDE DFormula:
C36H60O13Smiles:
C[C@]1(CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]([C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@](C)(CO)O3)CC[C@]21CAglycone:
CC1(CO)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 700.86 | Num_heavy_atoms: | 49 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD13368
Formula: C30H50O8
Smiles:
CC1(CO)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC(O)C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.72 | Num_heavy_atoms: | 38 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
