Glycoside
GD000454
Name:
ALTROMYCIN BFormula:
C48H61O17NSmiles:
COC(=O)C(O)(c1cc2c(c3oc([C@@]4(C)C[C@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@@](C)(N(C)C)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)c1O)C2=O)[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OAglycone:
COC(=O)C(O)c1cc2c(c3oc(C4(C)CC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 924.01 | Num_heavy_atoms: | 66 |
| TPSA: | 250.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00504
Formula: C34H37O10N
Smiles:
COC(=O)C(O)c1cc2c(c3oc(C4(C)CC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 619.67 | Num_heavy_atoms: | 45 |
| TPSA: | 163.81 | NumAromaticRings: | 3 |
