Glycoside
GD122643
Name:
3'-(3,7-dimethyl-2,6-octadienyl)-8-glucosyl-3,4',5,7-tetrahydroxyflavone; (e)-form, 3-o-[β-d-glucopyranosyl-(1->4)-α-d-glucopyranoside]Formula:
C43H56O21Smiles:
CC(C)=CCCC(C)=CCc1cc(-c2oc3c(C4OC(CO)C(O)C(O)C4O)c(O)cc(O)c3c(=O)c2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
CC(C)=CCCC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 908.9 | Num_heavy_atoms: | 64 |
| TPSA: | 359.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD49439
Formula: C25H26O6
Smiles:
CC(C)=CCCC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.48 | Num_heavy_atoms: | 31 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
