Glycoside
GD027642
Name:
NoneFormula:
C30H28O10N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1N1CCOCC1Aglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 604.57 | Num_heavy_atoms: | 44 |
| TPSA: | 201.18 | NumAromaticRings: | 5 |
Unique Aglycone
AD18141
Formula: C24H18O5N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1N1CCOCC1| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.43 | Num_heavy_atoms: | 33 |
| TPSA: | 121.89 | NumAromaticRings: | 5 |
