Glycoside
GD033762
Name:
NoneFormula:
C17H24O7N4Smiles:
O=C(C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NCCN1CCOCC1Aglycone:
C=CC(=O)NCCN1CCOCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 146.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21527
Formula: C9H16O2N2
Smiles:
C=CC(=O)NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 184.24 | Num_heavy_atoms: | 13 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
