Glycoside
GD018660
Name:
NoneFormula:
C37H51O9NSmiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 653.81 | Num_heavy_atoms: | 47 |
| TPSA: | 174.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD13127
Formula: C31H41O4N
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 491.67 | Num_heavy_atoms: | 36 |
| TPSA: | 95.23 | NumAromaticRings: | 0 |
