Glycoside
GD029021
Name:
NoneFormula:
C37H61O16N7S3Smiles:
CNC1=N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(=O)CCSSCCNC(=O)CCCCC3SCC4NC(=O)NC43)[C@@H](CO)[C@H]2O1Aglycone:
CNC1=NC2C(O)C(O)C(CO)C2O1.NC(=O)CCSSCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
CC(=O)NC1C(OC2C(CO)OC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.86 |
| AlogP: | -4.8 | Num_rotatable_bonds: | 21 |
| MolWt: | 956.13 | Num_heavy_atoms: | 63 |
| TPSA: | 340.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD06968
Formula: C8H14O4N2
Smiles:
CNC1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.21 | Num_heavy_atoms: | 14 |
| TPSA: | 94.31 | 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 |
