Glycoside
GD150914
Name:
Jadomycin KFormula:
C31H33O9NSmiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN)C1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN)C1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 563.6 | Num_heavy_atoms: | 41 |
| TPSA: | 165.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD60239
Formula: C25H23O6N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN)C1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.46 | Num_heavy_atoms: | 32 |
| TPSA: | 126.92 | NumAromaticRings: | 2 |
