Glycoside
GD149439
Name:
7-Hydroxypradimicin AFormula:
C40H44O19N2Smiles:
CNC1C(C)OC(OC2c3cc(C)c(C(O)=NC(C)C(=O)O)c(O)c3-c3c(O)c4c(c(O)c3C2O)C(=O)c2c(O)cc(OC)cc2C4=O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3Sugarmoiety:
CNC1C(C)OC(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.45 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 856.79 | Num_heavy_atoms: | 61 |
| TPSA: | 344.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD47326
Formula: C28H23O12N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 565.49 | Num_heavy_atoms: | 41 |
| TPSA: | 234.64 | NumAromaticRings: | 3 |
