Glycoside
GD117254
Name:
Ansamitocinoside P-2Formula:
C37H49O14N2ClSmiles:
CCC(=O)OC1CC(=O)N(C2OC(CO)C(O)C(O)C2O)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CAglycone:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 769.24 | Num_heavy_atoms: | 53 |
| TPSA: | 229.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD46723
Formula: C31H39O9N2Cl
Smiles:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 607.1 | Num_heavy_atoms: | 42 |
| TPSA: | 148.44 | NumAromaticRings: | 1 |
