Glycoside
GD107404
Name:
[6-({2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoateFormula:
C30H32O13Smiles:
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.57 | Num_heavy_atoms: | 43 |
| TPSA: | 190.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00766
Formula: C17H18O6
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
