Glycoside
GD127354
Name:
Jadomycin OctFormula:
C29H30O9N2Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(N)CCCN1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(N)CCCN1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 550.56 | Num_heavy_atoms: | 40 |
| TPSA: | 168.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD51574
Formula: C23H20O6N2
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(N)CCCN1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 420.42 | Num_heavy_atoms: | 31 |
| TPSA: | 130.16 | NumAromaticRings: | 2 |
