Glycoside
GD033321
Name:
NoneFormula:
C26H32O11N4Smiles:
CO[C@H]1[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@H](O[C@@H]1OC(C(=O)NCCc2ccc(C)cc2)=C[C@H](O)[C@H]1O)C(N)=OAglycone:
Cc1ccc(CCNC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.56 | Num_heavy_atoms: | 41 |
| TPSA: | 224.66 | 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 |
AD21280
Formula: C17H22O6N2
Smiles:
Cc1ccc(CCNC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 131.11 | NumAromaticRings: | 1 |
