Glycoside
GD000619
Name:
NoneFormula:
C48H78O19Smiles:
CC1OC(OC2C(OC(=O)[C@@H]3CC(C)(C)C[C@@H]4C5=CC[C@@H]6[C@]7(C)C[C@H](O)[C@H](OC8OC(CO)C(O)C(O)C8O)[C@](C)(CO)[C@H]7[C@H](O)C[C@@]6(C)[C@@]5(C)CC[C@@]43C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CC(C(=O)O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 959.13 | Num_heavy_atoms: | 67 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00676
Formula: C31H50O6
Smiles:
CC1(C)CC(C(=O)O)C2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 518.74 | Num_heavy_atoms: | 37 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
