Glycoside
GD038907
Name:
4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidineFormula:
C21H27O6N7SSmiles:
CNc1ccc2c(n1)sc1c(N3CCN([C@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]4O)CC3)nc(NC)nc12Aglycone:
CNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 505.56 | Num_heavy_atoms: | 35 |
| TPSA: | 176.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD24179
Formula: C15H19N7S
Smiles:
CNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.43 | Num_heavy_atoms: | 23 |
| TPSA: | 78.0 | NumAromaticRings: | 3 |
