Glycoside
GD023007
Name:
JADOMYCIN GFormula:
C26H23O9NSmiles:
Cc1cc(O)c2c(c1)[C@@H]1OC(=O)CN1C1=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)CN1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 493.47 | Num_heavy_atoms: | 36 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD15522
Formula: C20H13O6N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)CN1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 363.33 | Num_heavy_atoms: | 27 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
