Glycoside
GD131100
Name:
jadomycin 3amba-lactamFormula:
C32H27O10NSmiles:
Cc1cc(O)c2c3c(n(Cc4cccc(C(=O)O)c4)c(=O)c2c1)C(=O)c1c(OC2CC(O)C(O)C(C)O2)cccc1C3=OAglycone:
Cc1cc(O)c2c3c(n(Cc4cccc(C(=O)O)c4)c(=O)c2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 585.57 | Num_heavy_atoms: | 43 |
| TPSA: | 172.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD53121
Formula: C26H17O7N
Smiles:
Cc1cc(O)c2c3c(n(Cc4cccc(C(=O)O)c4)c(=O)c2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 455.42 | Num_heavy_atoms: | 34 |
| TPSA: | 133.9 | NumAromaticRings: | 4 |
