Glycoside
GD130089
Name:
muraymycin c6Formula:
C42H68O19N12Smiles:
COC1C(OC(C(NCNCCCN=C(O)C(N=C(O)C(NC(O)=NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(OC=O)C(C)C)C(=O)O)C2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CN=C(C)O)C1OAglycone:
CC(C)C(N=C(O)NC(C(O)=NC(C(O)=NCCCNCNC(CO)C(=O)O)C(OC=O)C(C)C)C1CCNC(=N)N1)C(=O)O.CN=C(C)O.O=c1nc(O)cc[nH]1Sugarmoiety:
COC1C(OOC2OC(O)C(O)C2O)OC(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.71 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 28 |
| MolWt: | 1045.07 | Num_heavy_atoms: | 73 |
| TPSA: | 467.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD52704
Formula: C26H47O10N9
Smiles:
CC(C)C(N=C(O)NC(C(O)=NC(C(O)=NCCCNCNC(CO)C(=O)O)C(OC=O)C(C)C)C1CCNC(=N)N1)C(=O)O| HBA: | 19 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.73 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 21 |
| MolWt: | 645.72 | Num_heavy_atoms: | 45 |
| TPSA: | 302.9 | NumAromaticRings: | 0 |
