Glycoside
GD007676
Name:
NoneFormula:
C33H29O11N5Smiles:
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(CO)n1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 671.62 | Num_heavy_atoms: | 49 |
| TPSA: | 243.09 | NumAromaticRings: | 6 |
Unique Aglycone
AD06223
Formula: C27H19O6N5
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)n1| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 509.48 | Num_heavy_atoms: | 38 |
| TPSA: | 163.94 | NumAromaticRings: | 6 |
