Glycoside
GD149188
Name:
2,3-bis(acetyloxy)-3-({[4-({6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}methyl)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-yl]methyl}carbamoyl)propanoic acidFormula:
C27H33O7N4ClSmiles:
CC(=O)OC(C(=O)O)C(OC(C)=O)C(O)=NCC1C=C(C)C(Cc2nc3cc(Cl)cnc3[nH]2)CC1C(C)CAglycone:
CC1=CC(CN)C(C(C)C)CC1Cc1nc2cc(Cl)cnc2[nH]1Sugarmoiety:
CC(=O)OC(C(=O)O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 549.02 | Num_heavy_atoms: | 38 |
| TPSA: | 164.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD44684
Formula: C19H25N4Cl
Smiles:
CC1=CC(CN)C(C(C)C)CC1Cc1nc2cc(Cl)cnc2[nH]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.88 | Num_heavy_atoms: | 23 |
| TPSA: | 67.59 | NumAromaticRings: | 2 |
