Glycoside
GD157513
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[7-hydroxy-10-(4-hydroxyphenyl)-2-oxo-3-oxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),5(13),6,8,10-pentaen-8-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C27H24O13Smiles:
O=C(O)CC(=O)OCC1OC(Oc2c(O)cc3c4c(ccc(-c5ccc(O)cc5)c24)C(=O)OC3)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.O=C1OCc2cc(O)c(O)c3c(-c4ccc(O)cc4)ccc1c23Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.48 | Num_heavy_atoms: | 40 |
| TPSA: | 209.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD60456
Formula: C18H12O5
Smiles:
O=C1OCc2cc(O)c(O)c3c(-c4ccc(O)cc4)ccc1c23| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.29 | Num_heavy_atoms: | 23 |
| TPSA: | 86.99 | NumAromaticRings: | 3 |
