Glycoside
GD131542
Name:
NoneFormula:
C36H41O12N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3ccccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 735.75 | Num_heavy_atoms: | 53 |
| TPSA: | 269.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD45278
Formula: C28H27O6N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2N1| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 529.55 | Num_heavy_atoms: | 39 |
| TPSA: | 169.74 | NumAromaticRings: | 3 |
