Glycoside
GD138583
Name:
3-oxo-3-{[3,4,5-trihydroxy-6-({3-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11,13,15-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acidFormula:
C25H26O13Smiles:
COc1ccc2c(c1)OC1c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1)OC1c3c(O)cc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 190.67 | NumAromaticRings: | 2 |
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 |
AD55924
Formula: C16H14O5
Smiles:
COc1ccc2c(c1)OC1c3c(O)cc(O)cc3OCC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
