Glycoside
GD126174
Name:
[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-hydroxy-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl]methyl benzoateFormula:
C24H28O12Smiles:
CC(=O)OCC1OC(OC23CC4C5(O)CC2OC(O5)C43COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 170.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47465
Formula: C16H16O6
Smiles:
O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccccc1| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
