Glycoside
GD140605
Name:
jadomycin furan 4Formula:
C24H22O8Smiles:
Cc1cc(CO)c2c3c(oc2c1)C(=O)c1c(OC2CC(O)C(O)C(C)O2)cccc1C3=OAglycone:
Cc1cc(CO)c2c3c(oc2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.43 | Num_heavy_atoms: | 32 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD56691
Formula: C18H12O5
Smiles:
Cc1cc(CO)c2c3c(oc2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.29 | Num_heavy_atoms: | 23 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
