Glycoside
GD136956
Name:
3-O-{[O-Beta-D-Xylopyranosyl]-(1-2)-Beta-D-Glucopyranosyl}-8-(P-Hydroxy-B+Formula:
C33H34O16Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 686.62 | Num_heavy_atoms: | 49 |
| TPSA: | 269.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD46111
Formula: C22H16O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.05 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.36 | Num_heavy_atoms: | 29 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
