Glycoside
GD006608
Name:
ADXANTHROMYCIN BFormula:
C48H50O22Smiles:
Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@]2(C)OO[C@@]1(C)c2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2OAglycone:
Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)C2(C)OOC1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 978.91 | Num_heavy_atoms: | 70 |
| TPSA: | 366.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD05455
Formula: C36H30O12
Smiles:
Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)C2(C)OOC1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.62 | Num_heavy_atoms: | 48 |
| TPSA: | 208.12 | NumAromaticRings: | 4 |
