Glycoside
GD128443
Name:
6-{[8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H29O9N3Smiles:
O=C(O)C1OC(Oc2c(Cc3ccc(O)cc3)nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn23)C(O)C(O)C1OAglycone:
Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 599.6 | Num_heavy_atoms: | 44 |
| TPSA: | 187.1 | NumAromaticRings: | 5 |
Unique Aglycone
AD52025
Formula: C26H21O3N3
Smiles:
Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.47 | Num_heavy_atoms: | 32 |
| TPSA: | 90.88 | NumAromaticRings: | 5 |
