Glycoside
GD035328
Name:
NoneFormula:
C18H23O12N3Smiles:
COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@H](C(N)=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2OC)O1Aglycone:
COC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.39 | Num_heavy_atoms: | 33 |
| TPSA: | 221.86 | 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 |
AD22365
Formula: C9H13O7N
Smiles:
COC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.2 | Num_heavy_atoms: | 17 |
| TPSA: | 128.31 | NumAromaticRings: | 0 |
