Glycoside
GD151255
Name:
1,3,6-trihydroxy-2,7-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-oneFormula:
C25H28O15Smiles:
O=c1c2cc(C3OC(CO)C(O)C(O)C3O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c2ccc(O)cc2oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 271.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD53614
Formula: C13H8O5
Smiles:
O=c1c2ccc(O)cc2oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.2 | Num_heavy_atoms: | 18 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
