Glycoside
GD005054
Name:
ANSACARBAMITOCIN FFormula:
C35H46O14N3ClSmiles:
CNC(=O)O[C@@H]1CC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cc(cc(O)c2Cl)CC(C)=CC=C[C@H](OC)[C@]2(O)C[C@H](OC(=O)N2)[C@H](C)[C@@H]2O[C@@]21CAglycone:
CNC(=O)OC1CC(=O)Nc2cc(cc(O)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: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 756.2 | Num_heavy_atoms: | 52 |
| TPSA: | 249.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD04330
Formula: C29H36O9N3Cl
Smiles:
CNC(=O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 594.06 | Num_heavy_atoms: | 41 |
| TPSA: | 167.98 | NumAromaticRings: | 1 |
