Glycoside
GD139021
Name:
NoneFormula:
C40H39O12N5Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1.OC1CCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 781.78 | Num_heavy_atoms: | 57 |
| TPSA: | 264.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD45532
Formula: C30H23O7N5
Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 565.54 | Num_heavy_atoms: | 42 |
| TPSA: | 185.3 | NumAromaticRings: | 3 |
