Glycoside
GD154074
Name:
(3,4,5-trihydroxy-6-{[6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl]oxy}oxan-2-yl)methyl benzoateFormula:
C23H28O11Smiles:
CC12CC3(O)OC(O1)C1(CO)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
CC12CC3(O)OC(O1)C1(CO)C3CC21O.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD04606
Formula: C10H14O5
Smiles:
CC12CC3(O)OC(O1)C1(CO)C3CC21O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
