Glycoside
GD141114
Name:
Jadomycin VFormula:
C30H30O9Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(C(C)C)C1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(C(C)C)C1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.56 | Num_heavy_atoms: | 39 |
| TPSA: | 139.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD56871
Formula: C24H20O6
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(C(C)C)C1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.42 | Num_heavy_atoms: | 30 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
