Glycoside
GD155747
Name:
Mannopeptimycin ΕFormula:
C59H86O26N12Smiles:
CC(C)CC(=O)OC1C(CO)OC(OC2C(CO)OC(Oc3ccc(CC4N=C(O)C(C(C)c5ccccc5)N=C(O)CN=C(O)C(CO)N=C(O)C(C(O)C5CNC(=N)N5C5OC(CO)C(O)C(O)C5O)N=C(O)C(C(O)C5CNC(=N)N5)N=C4O)cc3)C(O)C2O)C(O)C1OAglycone:
CC(C)CC(=O)O.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: | 38 | RingCount: | 8 |
| HBD: | 24 | FractionCSP3: | 0.64 |
| AlogP: | -6.55 | Num_rotatable_bonds: | 20 |
| MolWt: | 1379.4 | Num_heavy_atoms: | 97 |
| TPSA: | 618.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
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 |
