Glycoside
GD126375
Name:
Altromycin GFormula:
C45H55O18NSmiles:
COC(=O)C(O)(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)c1O)C2=O)C1OC(C)C(O)C(OC)C1OAglycone:
COC(=O)C(O)c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N)C(O)C(C)O3)c1O)C2=OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 897.92 | Num_heavy_atoms: | 64 |
| TPSA: | 285.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD51128
Formula: C31H31O11N
Smiles:
COC(=O)C(O)c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N)C(O)C(C)O3)c1O)C2=O| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 593.59 | Num_heavy_atoms: | 43 |
| TPSA: | 199.12 | NumAromaticRings: | 3 |
