Glycoside
GD139201
Name:
jadomycin pyruvate-4ambaFormula:
C35H31O12NSmiles:
Cc1cc(O)c2c(c1)C(CC(=O)C(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C(CC(=O)C(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 657.63 | Num_heavy_atoms: | 48 |
| TPSA: | 208.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD56126
Formula: C29H21O9N
Smiles:
Cc1cc(O)c2c(c1)C(CC(=O)C(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.49 | Num_heavy_atoms: | 39 |
| TPSA: | 169.51 | NumAromaticRings: | 3 |
