Glycoside
GD115112
Name:
Occidiofungin AFormula:
C54H78O19N12Smiles:
CCCCOC1CN=C(O)C(CC(=N)O)N=C(O)C(CO)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(CCCCN)N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)CC(OC2OCC(O)C(O)C2O)C1Aglycone:
CCCCOC1CN=C(O)C(CC(=N)O)N=C(O)C(CO)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(CCCCN)N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)CC(O)C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 5 |
| HBD: | 21 | FractionCSP3: | 0.56 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 19 |
| MolWt: | 1199.28 | Num_heavy_atoms: | 85 |
| TPSA: | 539.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD45478
Formula: C49H70O15N12
Smiles:
CCCCOC1CN=C(O)C(CC(=N)O)N=C(O)C(CO)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(CCCCN)N=C(O)C(C(O)c2ccc(O)cc2)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)CC(O)C1| HBA: | 27 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.51 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 17 |
| MolWt: | 1067.17 | Num_heavy_atoms: | 76 |
| TPSA: | 480.84 | NumAromaticRings: | 3 |
