Glycoside
GD013034
Name:
NoneFormula:
C36H38O16N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCC1COCO1Aglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCC1COCO1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 782.71 | Num_heavy_atoms: | 56 |
| TPSA: | 298.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD09779
Formula: C24H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCC1COCO1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.43 | Num_heavy_atoms: | 34 |
| TPSA: | 139.91 | NumAromaticRings: | 5 |
