Glycoside
GD122687
Name:
11-[(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-15-hydroxy-6,8,20-trioxapentacyclo[10.8.0.0²,â¹.0³,â·.0¹â´,¹â¹]icosa-1,4,9,11,14,16,18-heptaen-13-oneFormula:
C23H20O10Smiles:
COC1COC(Oc2cc3c(c4oc5cccc(O)c5c(=O)c24)C2C=COC2O3)C(O)C1OAglycone:
O=c1c2c(O)cccc2oc2c3c(cc(O)c12)OC1OC=CC31Sugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.4 | Num_heavy_atoms: | 33 |
| TPSA: | 137.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD49466
Formula: C17H10O6
Smiles:
O=c1c2c(O)cccc2oc2c3c(cc(O)c12)OC1OC=CC31| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 310.26 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
