Glycoside
GD120575
Name:
16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-2,5,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹â°.0â´,â¸.0¹â´,¹â¹]icosa-1(12),2,10,14,16,18-hexaen-20-oneFormula:
C24H24O13Smiles:
COC1C(CO)OC(Oc2cc(O)c3c(=O)c4c(O)c5c(cc4oc3c2)OC2OCC(O)C52)C(O)C1OAglycone:
O=c1c2c(O)cc(O)cc2oc2cc3c(c(O)c12)C1C(O)COC1O3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD48458
Formula: C17H12O8
Smiles:
O=c1c2c(O)cc(O)cc2oc2cc3c(c(O)c12)C1C(O)COC1O3| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
