Glycoside
GD024455
Name:
NoneFormula:
C18H19O7N3Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
O=CNC1c2ccccc2CC1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 389.36 | Num_heavy_atoms: | 28 |
| TPSA: | 153.88 | NumAromaticRings: | 2 |
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 |
AD07878
Formula: C10H11O2N
Smiles:
O=CNC1c2ccccc2CC1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
