Glycoside
GD030546
Name:
NoneFormula:
C38H60O9Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H]6O[C@H](C[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)OC[C@@]6(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 660.89 | Num_heavy_atoms: | 47 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD18493
Formula: C32H50O4
Smiles:
CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 498.75 | Num_heavy_atoms: | 36 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
