Glycoside
GD003815
Name:
NoneFormula:
C27H24O9N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4OC[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COAglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.51 | Num_heavy_atoms: | 40 |
| TPSA: | 200.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD01133
Formula: C23H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.42 | Num_heavy_atoms: | 33 |
| TPSA: | 161.91 | NumAromaticRings: | 5 |
