Glycoside
GD005413
Name:
2-(hydroxymethyl)-6-{[2-(hydroxymethyl)-6-methoxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-3-yl]oxy}oxane-3,4,5-triolFormula:
C17H26O10Smiles:
CO[C@@]12C[C@]3(C)O[C@H](O1)[C@]1(CO)[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(CO)C2CC31OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 147.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD04603
Formula: C11H16O5
Smiles:
COC12CC3(C)OC(O1)C1(CO)C2CC31O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
