Glycoside
GD007084
Name:
NoneFormula:
C33H26O10N4Smiles:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccc1Aglycone:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.18 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 638.59 | Num_heavy_atoms: | 47 |
| TPSA: | 217.81 | NumAromaticRings: | 6 |
Unique Aglycone
AD05791
Formula: C27H16O5N4
Smiles:
O=C(NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O)c1ccccc1| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.45 | Num_heavy_atoms: | 36 |
| TPSA: | 138.52 | NumAromaticRings: | 6 |
