Glycoside
GD027153
Name:
2-{[6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H24O10Smiles:
C[C@@]12C[C@]3(O)O[C@H](O1)[C@]1(CO)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(O)OC(O1)C1(CO)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.36 | Num_heavy_atoms: | 26 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
