Glycoside
GD014756
Name:
JADOMYCIN SFormula:
C27H25O10NSmiles:
Cc1cc(O)c2c(c1)[C@@H]1OC(=O)[C@H](CO)N1C1=C2C(=O)c2cccc(O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CO)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 523.49 | Num_heavy_atoms: | 38 |
| TPSA: | 163.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD10812
Formula: C21H15O7N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CO)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 393.35 | Num_heavy_atoms: | 29 |
| TPSA: | 124.37 | NumAromaticRings: | 2 |
