Glycoside
GD134893
Name:
2-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1,8-dihydroxy-6-methoxy-9H-xanthen-9-oneFormula:
C25H28O14Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC4OCC(OC5OC(C)C(O)C(O)C5O)C(O)C4O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1Sugarmoiety:
CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD02811
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
