Glycoside
GD036360
Name:
NoneFormula:
C38H56O8N2Smiles:
C=C(C)[C@@H]1CC[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@H](CC[C@@H]4[C@]5(C)Cc6nccnc6[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)Cc6nccnc6C(C)(CO)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 668.87 | Num_heavy_atoms: | 48 |
| TPSA: | 162.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD22940
Formula: C32H46O3N2
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)Cc6nccnc6C(C)(CO)C5CCC43C)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 506.73 | Num_heavy_atoms: | 37 |
| TPSA: | 83.31 | NumAromaticRings: | 1 |
