Glycoside
GD025115
Name:
GENTIRIGEOSIDE AFormula:
C36H60O12Smiles:
CC1(C)O[C@](C(=O)O)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@]23C)C[C@H](O)[C@H]1OAglycone:
CC1(C)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: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 684.86 | Num_heavy_atoms: | 48 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD13369
Formula: C30H50O7
Smiles:
CC1(C)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)CC(O)C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
