Glycoside
GD007701
Name:
NoneFormula:
C52H83O10N8ClSmiles:
NCCCC[C@H](N)C(=O)N(CCCCCCCCCCCCO[C@H]1[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C[C@H]2N)[C@@H](N)C[C@@H](N)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O)Cc1c2ccccc2c(Cl)c2ccccc12Aglycone:
NCCCCC(N)C(=O)N(CCCCCCCCCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)CC1N)Cc1c2ccccc2c(Cl)c2ccccc12Sugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 18 | FractionCSP3: | 0.71 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 27 |
| MolWt: | 1003.72 | Num_heavy_atoms: | 70 |
| TPSA: | 329.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD06242
Formula: C46H72O6N7Cl
Smiles:
NCCCCC(N)C(=O)N(CCCCCCCCCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)CC1N)Cc1c2ccccc2c(Cl)c2ccccc12| HBA: | 13 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.67 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 24 |
| MolWt: | 842.57 | Num_heavy_atoms: | 59 |
| TPSA: | 244.58 | NumAromaticRings: | 3 |
