Glycoside
GD121792
Name:
NoneFormula:
C37H38O12N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 744.73 | Num_heavy_atoms: | 54 |
| TPSA: | 269.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD49043
Formula: C31H28O7N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.59 | Num_heavy_atoms: | 43 |
| TPSA: | 190.2 | NumAromaticRings: | 3 |
