Glycoside
GD026814
Name:
BIDENTATOSIDEFormula:
C47H70O20Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@@H]7OC(O)(C(=O)O)C(OCC(=O)O)O[C@H]76)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC67)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 955.06 | Num_heavy_atoms: | 67 |
| TPSA: | 314.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD17655
Formula: C41H60O15
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC67)C(C)(C)C5CCC43C)C2C1| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 792.92 | Num_heavy_atoms: | 56 |
| TPSA: | 235.81 | NumAromaticRings: | 0 |
