Glycoside
GD154714
Name:
8-Prenylkaempferol 4'-Methyl Ether 3-[4'''-,6'''-Diacetylglucosyl-(1->3)-4''-Acetylrhamnoside]Formula:
C39H46O18Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)C2O)cc1Aglycone:
COC(C)=O.COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC(=O)OCC1OC(OC2OC(C)OC(O)C2O)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.49 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 802.78 | Num_heavy_atoms: | 57 |
| TPSA: | 256.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
