Glycoside
GD154801
Name:
5,7,4'-Trihydroxy-6,8,3'-Trimethoxyflavone 4'-[6''-(3-Hydroxy-3-Methylglutaryl)Glucoside]Formula:
C30H34O17Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 666.59 | Num_heavy_atoms: | 47 |
| TPSA: | 261.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD04978
Formula: C18H16O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
