Glycoside
GD140872
Name:
{3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxoprop-1-en-1-yl)phenoxy]oxan-2-yl}methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C31H38O16Smiles:
COc1cc(C=CC=O)ccc1OC1OC(COC(=O)c2cc(OC)c(OC3OC(C)C(O)C(O)C3O)c(OC)c2)C(O)C(O)C1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(C=CC=O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 666.63 | Num_heavy_atoms: | 47 |
| TPSA: | 229.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
