Glycoside
GD118108
Name:
1-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C25H28O13Smiles:
CC1OC(OCC2OC(Oc3ccc4oc5cccc(O)c5c(=O)c4c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c2cc(O)ccc2oc2cccc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 208.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD47190
Formula: C13H8O4
Smiles:
O=c1c2cc(O)ccc2oc2cccc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.2 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
