Glycoside
GD010304
Name:
Oblonganoside AFormula:
C38H58O10Smiles:
CC1=C(C)[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@@H]6O[C@H](CO)OC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
CC1=C(C)C2C3=CCC4C5(C)CCC6OC(CO)OCC6(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 674.87 | Num_heavy_atoms: | 48 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD07982
Formula: C32H48O5
Smiles:
CC1=C(C)C2C3=CCC4C5(C)CCC6OC(CO)OCC6(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
