Glycoside
GD119068
Name:
Altromycin DFormula:
C47H59O17NSmiles:
COC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)c1O)C2=O)C1CC(OC)C(O)C(C)O1Aglycone:
COC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=O)C1CC(OC)C(O)C(C)O1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 909.98 | Num_heavy_atoms: | 65 |
| TPSA: | 242.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD47662
Formula: C40H47O14N
Smiles:
COC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=O)C1CC(OC)C(O)C(C)O1| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 765.81 | Num_heavy_atoms: | 55 |
| TPSA: | 215.03 | NumAromaticRings: | 3 |
