Glycoside
GD143455
Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-11-hydroxy-2H,10H-[1,3]dioxolo[4,5-b]xanthen-10-oneFormula:
C26H28O15Smiles:
CC1OC(OC2C(Oc3ccc4oc5cc6c(c(O)c5c(=O)c4c3)OCO6)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c2cc(O)ccc2oc2cc3c(c(O)c12)OCO3Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD57696
Formula: C14H8O6
Smiles:
O=c1c2cc(O)ccc2oc2cc3c(c(O)c12)OCO3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 272.21 | Num_heavy_atoms: | 20 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
