Glycoside
GD145313
Name:
methyl 1,3-dihydroxy-1-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylateFormula:
C18H28O10Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)OAglycone:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD58344
Formula: C12H18O5
Smiles:
COC(=O)C1=CCC(O)C2C1C(O)CC2(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
