Glycoside
GD034553
Name:
NoneFormula:
C36H57O7NSmiles:
CC1(C)CC[C@]2(C(=O)N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 615.85 | Num_heavy_atoms: | 44 |
| TPSA: | 136.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD21958
Formula: C30H47O2N
Smiles:
CC1(C)CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 453.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
