Glycoside
GD011864
Name:
GENTIRIGEOSIDE EFormula:
C42H70O16Smiles:
CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[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)(C)O3)CC[C@]21CAglycone:
CC1(C)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 831.01 | Num_heavy_atoms: | 58 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD09001
Formula: C30H50O6
Smiles:
CC1(C)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC(O)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
