Glycoside
GD144444
Name:
NoneFormula:
C40H42O14N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 816.8 | Num_heavy_atoms: | 59 |
| TPSA: | 306.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD58055
Formula: C34H32O9N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 654.66 | Num_heavy_atoms: | 48 |
| TPSA: | 227.5 | NumAromaticRings: | 3 |
