Glycoside
GD136104
Name:
Mannopeptimycin ΑFormula:
C54H78O25N12Smiles:
CC(c1ccccc1)C1N=C(O)CN=C(O)C(CO)N=C(O)C(C(O)C2CNC(=N)N2C2OC(CO)C(O)C(O)C2O)N=C(O)C(C(O)C2CNC(=N)N2)N=C(O)C(Cc2ccc(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc2)N=C1OAglycone:
CC(c1ccccc1)C1N=C(O)CN=C(O)C(CO)N=C(O)C(C(O)C2CNC(=N)N2)N=C(O)C(C(O)C2CNC(=N)N2)N=C(O)C(Cc2ccc(O)cc2)N=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 8 |
| HBD: | 25 | FractionCSP3: | 0.63 |
| AlogP: | -8.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 1295.28 | Num_heavy_atoms: | 91 |
| TPSA: | 611.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD53960
Formula: C36H48O10N12
Smiles:
CC(c1ccccc1)C1N=C(O)CN=C(O)C(CO)N=C(O)C(C(O)C2CNC(=N)N2)N=C(O)C(C(O)C2CNC(=N)N2)N=C(O)C(Cc2ccc(O)cc2)N=C1O| HBA: | 22 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.44 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 808.85 | Num_heavy_atoms: | 58 |
| TPSA: | 372.28 | NumAromaticRings: | 2 |
