Glycoside
GD028272
Name:
NoneFormula:
C38H60O8Smiles:
C[C@@H]1O[C@H](C[C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]43)O2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 644.89 | Num_heavy_atoms: | 46 |
| TPSA: | 125.68 | 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 |
