Glycoside
GD120977
Name:
Formadicin BFormula:
C30H34O15N4Smiles:
NC(CCOc1ccc(C(N=CO)C(O)=NC2CN(C(C(=O)O)c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3)C2=O)cc1)C(=O)OAglycone:
NC(CCOc1ccc(C(N=CO)C(O)=NC2CN(C(C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.4 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 15 |
| MolWt: | 690.62 | Num_heavy_atoms: | 49 |
| TPSA: | 311.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD48652
Formula: C24H26O9N4
Smiles:
NC(CCOc1ccc(C(N=CO)C(O)=NC2CN(C(C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 514.49 | Num_heavy_atoms: | 37 |
| TPSA: | 215.57 | NumAromaticRings: | 2 |
