Glycoside
GD116229
Name:
NoneFormula:
C35H34O11N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 700.68 | Num_heavy_atoms: | 51 |
| TPSA: | 260.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD46119
Formula: C29H24O6N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.54 | Num_heavy_atoms: | 40 |
| TPSA: | 180.97 | NumAromaticRings: | 3 |
