Glycoside
GD126151
Name:
NoneFormula:
C38H38O13N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 772.74 | Num_heavy_atoms: | 56 |
| TPSA: | 286.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD45533
Formula: C30H24O7N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.55 | Num_heavy_atoms: | 42 |
| TPSA: | 187.04 | NumAromaticRings: | 3 |
