Glycoside
GD024161
Name:
JADOMYCIN YFormula:
C33H29O10NSmiles:
Cc1cc(O)c2c(c1)[C@@H]1OC(=O)[C@H](Cc3ccc(O)cc3)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(Cc3ccc(O)cc3)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 599.59 | Num_heavy_atoms: | 44 |
| TPSA: | 163.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD16159
Formula: C27H19O7N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(Cc3ccc(O)cc3)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 469.45 | Num_heavy_atoms: | 35 |
| TPSA: | 124.37 | NumAromaticRings: | 3 |
