Glycoside
GD021477
Name:
NoneFormula:
C33H28O11N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(O)c1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.6 | Num_heavy_atoms: | 48 |
| TPSA: | 230.2 | NumAromaticRings: | 6 |
Unique Aglycone
AD14684
Formula: C27H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(O)c1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.04 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 494.46 | Num_heavy_atoms: | 37 |
| TPSA: | 151.05 | NumAromaticRings: | 6 |
