Glycoside
GD114532
Name:
NoneFormula:
C35H34O12N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 716.68 | Num_heavy_atoms: | 52 |
| TPSA: | 269.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD45117
Formula: C29H24O7N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.54 | Num_heavy_atoms: | 41 |
| TPSA: | 190.2 | NumAromaticRings: | 3 |
