Glycoside
GD034934
Name:
NoneFormula:
C23H29O14N7P2Smiles:
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c4ncn4ccnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CC=C1Aglycone:
C1=Nc2c(ncn3ccnc23)[N]1.COP(=O)(O)OP(=O)(O)OC.NC(=O)C1=CNCC=C1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 689.47 | Num_heavy_atoms: | 46 |
| TPSA: | 296.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD07502
Formula: C7H4N5
Smiles:
C1=Nc2c(ncn3ccnc23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
AD20897
Formula: C6H8ON2
Smiles:
NC(=O)C1=CNCC=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
