Glycoside
GD015961
Name:
JADOMYCIN NFormula:
C28H26O10N2Smiles:
Cc1cc(O)c2c(c1)[C@@H]1NC(=O)C[C@H](C(=O)O)N1C1=C2C(=O)c2cccc(O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1NC(=O)CC(C(=O)O)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.52 | Num_heavy_atoms: | 40 |
| TPSA: | 182.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD11543
Formula: C22H16O7N2
Smiles:
Cc1cc(O)c2c(c1)C1NC(=O)CC(C(=O)O)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 420.38 | Num_heavy_atoms: | 31 |
| TPSA: | 144.24 | NumAromaticRings: | 2 |
