Glycoside
GD001100
Name:
NoneFormula:
C20H31O6N5Smiles:
CCCCn1c(=O)c2c(ncn2C2O[C@H](C(=O)NCC)[C@H](O)[C@H]2O)n(CCCC)c1=OAglycone:
CCCCn1c2c(c(=O)n(CCCC)c1=O)[N]C=N2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.5 | Num_heavy_atoms: | 31 |
| TPSA: | 140.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01146
Formula: C13H19O2N4
Smiles:
CCCCn1c2c(c(=O)n(CCCC)c1=O)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.32 | Num_heavy_atoms: | 19 |
| TPSA: | 70.46 | NumAromaticRings: | 1 |
