Glycoside
GD034748
Name:
NoneFormula:
C47H76O18Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C[C@H](O)[C@]46OC(=O)[C@]7(CCC(C)(C)C[C@@H]47)CC[C@]65C)[C@@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1Sugarmoiety:
CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD17759
Formula: C30H48O5
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5CC(O)C4(OC2=O)C3C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
