Glycoside
GD013396
Name:
MIRINCAMYCINFormula:
C20H35O5N2ClSSmiles:
CCCCC[C@@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1Aglycone:
CCCCCC1CNC(C(=O)NCC(C)Cl)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.02 | Num_heavy_atoms: | 28 |
| TPSA: | 111.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD10001
Formula: C14H25ON2Cl
Smiles:
CCCCCC1CNC(C(=O)NCC(C)Cl)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 260.81 | Num_heavy_atoms: | 17 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
