Glycoside
GD004899
Name:
PIRLIMYCINFormula:
C18H31O5N2ClSSmiles:
CC[C@@H]1CCN[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:
CCC1CCNC(C(=O)NCC(C)Cl)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.96 | Num_heavy_atoms: | 26 |
| TPSA: | 111.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD04225
Formula: C12H21ON2Cl
Smiles:
CCC1CCNC(C(=O)NCC(C)Cl)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.75 | Num_heavy_atoms: | 15 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
