Glycoside
GD023668
Name:
NoneFormula:
C15H21O12N3Smiles:
O=C(O)CO[C@@H]1[C@H](Cn2nncc2[C@@H]2OC(O)[C@H](O)[C@H]2OCC(=O)O)OC(O)[C@H]1OAglycone:
Cn1ccnn1.O=C(O)CO.O=C(O)COSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 435.34 | Num_heavy_atoms: | 30 |
| TPSA: | 223.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD07362
Formula: C3H5N3
Smiles:
Cn1ccnn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.09 | Num_heavy_atoms: | 6 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
