Glycoside
GD008355
Name:
NoneFormula:
C47H78O14Smiles:
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)C6=CC[C@]7(C)CCC(C)(C)C[C@H]7[C@@]6(C)CC[C@H]54)C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 867.13 | Num_heavy_atoms: | 61 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD06679
Formula: C30H50O
Smiles:
CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
