Glycoside
GD021753
Name:
NoneFormula:
C32H25O10N5Smiles:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccn1Aglycone:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.19 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 639.58 | Num_heavy_atoms: | 47 |
| TPSA: | 230.7 | NumAromaticRings: | 6 |
Unique Aglycone
AD14820
Formula: C26H15O5N5
Smiles:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccn1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 477.44 | Num_heavy_atoms: | 36 |
| TPSA: | 151.41 | NumAromaticRings: | 6 |
