Glycoside
GD008252
Name:
5-IminoaranciamycinFormula:
C27H29O11NSmiles:
CO[C@H]1[C@H](O[C@@H]2c3c(cc4c(c3O)C(=N)c3c(O)cccc3C4=O)C(=O)[C@](C)(O)[C@@H]2OC)O[C@H](C)[C@H](O)[C@@H]1OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=N)c2c(O)cccc2C3=O)C(=O)C1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 543.53 | Num_heavy_atoms: | 39 |
| TPSA: | 196.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD06612
Formula: C20H17O7N
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=N)c2c(O)cccc2C3=O)C(=O)C1(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 383.36 | Num_heavy_atoms: | 28 |
| TPSA: | 148.14 | NumAromaticRings: | 2 |
