Glycoside
GD021898
Name:
PRADIMICIN AFormula:
C40H44O18N2Smiles:
CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2c3cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@H]2O)[C@@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CNC1C(C)OC(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.45 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 840.79 | Num_heavy_atoms: | 60 |
| TPSA: | 320.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD13944
Formula: C28H23O11N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 549.49 | Num_heavy_atoms: | 40 |
| TPSA: | 210.92 | NumAromaticRings: | 3 |
