Glycoside
GD137887
Name:
Pradimicin FlFormula:
C41H46O20N2Smiles:
CNC1C(C)OC(OC2c3cc(C)c(C(O)=NC(CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CNC1C(C)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.46 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 886.81 | Num_heavy_atoms: | 63 |
| TPSA: | 364.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45850
Formula: C28H23O12N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 565.49 | Num_heavy_atoms: | 41 |
| TPSA: | 234.64 | NumAromaticRings: | 3 |
