Glycoside
GD033966
Name:
NoneFormula:
C56H89O11N9Smiles:
NC[C@@H]1C[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)N(CCCCCCCCCCCCO[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)C[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](N)[C@H]2O)C1Aglycone:
NCC1CC(C(=O)NC(CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)N(CCCCCCCCCCCCOC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)CC2N)C1Sugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 18 | FractionCSP3: | 0.68 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 28 |
| MolWt: | 1064.38 | Num_heavy_atoms: | 76 |
| TPSA: | 344.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD21643
Formula: C50H78O7N8
Smiles:
NCC1CC(C(=O)NC(CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)N(CCCCCCCCCCCCOC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)CC2N)C1| HBA: | 15 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.64 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 25 |
| MolWt: | 903.22 | Num_heavy_atoms: | 65 |
| TPSA: | 259.69 | NumAromaticRings: | 3 |
