Glycoside
GD125269
Name:
Pradimicin EFormula:
C38H40O18N2Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NCC(=O)O)c1O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NCC(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1NOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 812.73 | Num_heavy_atoms: | 58 |
| TPSA: | 338.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD50658
Formula: C27H21O11N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NCC(=O)O)c1O)C(O)C3O)C2=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.19 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 535.46 | Num_heavy_atoms: | 39 |
| TPSA: | 214.41 | NumAromaticRings: | 3 |
