Glycoside
GD155101
Name:
2-(4-{6,16-dihydroxy-7,9,13-trimethyl-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-yl}-2-methylidenebutoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H60O14Smiles:
C=C(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45269
Formula: C27H42O5
Smiles:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
