Glycoside
GD121938
Name:
6-Hydroxyluteolin 6-Glucoside-7-[6'''-(3-Hydroxy-3-Methylglutaryl)Glucoside]Formula:
C33H38O21Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.65 | Num_heavy_atoms: | 54 |
| TPSA: | 353.26 | 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 |
AD06961
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
