Glycoside
GD039105
Name:
1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitolFormula:
C22H29O9N4PSmiles:
Cc1cc2c3c(c1C)C(C)(C)CC3=Nc1c(nc(O)[nH]c1=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
Cc1cc2c3c(c1C)C(C)(C)CC3=Nc1c(nc(O)[nH]c1=O)N2CSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 209.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD24283
Formula: C18H20O2N4
Smiles:
Cc1cc2c3c(c1C)C(C)(C)CC3=Nc1c(nc(O)[nH]c1=O)N2C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 324.38 | Num_heavy_atoms: | 24 |
| TPSA: | 81.58 | NumAromaticRings: | 2 |
