Glycoside
GD025800
Name:
NoneFormula:
C35H51O11N3Smiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@H](O)[C@]3(CO)[C@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C(O)c3cn(Cc5ccccc5)nn3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C(O)c1cn(Cc2ccccc2)nn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.77 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 689.8 | Num_heavy_atoms: | 49 |
| TPSA: | 231.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD17073
Formula: C29H41O7N3
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C(O)c1cn(Cc2ccccc2)nn1| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 543.66 | Num_heavy_atoms: | 39 |
| TPSA: | 172.32 | NumAromaticRings: | 2 |
