Glycoside
GD142532
Name:
2-[5-({[4-(acetyloxy)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-(4-hydroxy-2-methoxy-6-methylbenzoyloxy)oxolan-2-yl]methoxy}carbonyl)-2-hydroxyphenoxy]prop-2-enoic acidFormula:
C30H28O15N2Smiles:
C=C(Oc1cc(C(=O)OCC2OC(n3ccc(O)nc3=O)C(OC(C)=O)C2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)OAglycone:
C=C(Oc1cc(C(=O)OC)ccc1O)C(=O)O.COc1cc(O)cc(C)c1C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 656.55 | Num_heavy_atoms: | 47 |
| TPSA: | 239.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD08265
Formula: C9H10O4
Smiles:
COc1cc(O)cc(C)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD44409
Formula: C11H10O6
Smiles:
C=C(Oc1cc(C(=O)OC)ccc1O)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.19 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
