Glycoside
GD008330
Name:
methyl 5-hydroxy-2-methyl-10-({3,4,5-trihydroxy-6-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxan-2-yl}oxy)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-ene-7-carboxylateFormula:
C26H32O15Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(=O)c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](O)[C@@H]1O[C@]12CAglycone:
COC(=O)C1=COC(O)C2C1C(O)C1OC12C.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 212.43 | NumAromaticRings: | 1 |
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 |
AD06663
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C1C(O)C1OC12C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
