Glycoside
GD129637
Name:
NoneFormula:
C39H40O13N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 14 |
| MolWt: | 786.77 | Num_heavy_atoms: | 57 |
| TPSA: | 286.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD52515
Formula: C33H30O8N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 624.63 | Num_heavy_atoms: | 46 |
| TPSA: | 207.27 | NumAromaticRings: | 3 |
