Glycoside
GD029753
Name:
(6-methoxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl 4-hydroxybenzoateFormula:
C24H30O12Smiles:
CO[C@@]12C[C@]3(C)O[C@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]2C[C@]31O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccc(O)cc4)C2CC31OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD10996
Formula: C18H20O7
Smiles:
COC12CC3(C)OC(O1)C1(COC(=O)c4ccc(O)cc4)C2CC31O| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 94.45 | NumAromaticRings: | 1 |
