Glycoside
GD115836
Name:
11-hydroxy-7-(4-hydroxy-3,5-dimethoxycyclohexyl)-3-methyl-6-{[3,4,5-trihydroxy-6-({[3-(4-hydroxycyclohexyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0âµ,¹³]tridecan-8-ium-10-ylFormula:
C35H34O14Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C3=C4[C](C=C(O)C=C4[OH+]2)OC(C)=C3)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(C)=C3)[OH+]2)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.64 | Num_heavy_atoms: | 49 |
| TPSA: | 206.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD45899
Formula: C20H19O7
Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(C)=C3)[OH+]2)cc(OC)c1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.37 | Num_heavy_atoms: | 27 |
| TPSA: | 101.18 | NumAromaticRings: | 1 |
