Glycoside
GD018611
Name:
NoneFormula:
C17H25O13N3Smiles:
O=C(O)CO[C@@H]1[C@H](COCc2cnnn2C[C@@H]2OC(O)[C@H](O)[C@H]2OCC(=O)O)OC(O)[C@H]1OAglycone:
COCc1cnnn1C.O=C(O)CO.O=C(O)COSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 479.4 | Num_heavy_atoms: | 33 |
| TPSA: | 232.38 | 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 |
AD13097
Formula: C5H9ON3
Smiles:
COCc1cnnn1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.15 | Num_heavy_atoms: | 9 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
