Glycoside
GD117460
Name:
2,3,4,5,7-pentamethoxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C30H38O18Smiles:
COc1cc(OC)c2oc3c(OC)c(OC)c(OC)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c3c(=O)c2c1Aglycone:
COc1cc(OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 686.62 | Num_heavy_atoms: | 48 |
| TPSA: | 254.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD46833
Formula: C18H18O8
Smiles:
COc1cc(OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
