Glycoside
GD017565
Name:
NoneFormula:
C38H63O16N7S3Smiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)CCSSCCNC(=O)CCCCC2SCC3NC(=O)NC32)[C@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H]2N=C(N(C)C)O[C@H]2[C@H]1COAglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1.NC(=O)CCSSCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.87 |
| AlogP: | -4.46 | Num_rotatable_bonds: | 21 |
| MolWt: | 970.16 | Num_heavy_atoms: | 64 |
| TPSA: | 331.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
AD12520
Formula: C15H26O3N4S3
Smiles:
NC(=O)CCSSCCNC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 406.6 | Num_heavy_atoms: | 25 |
| TPSA: | 113.32 | NumAromaticRings: | 0 |
