Glycoside
GD139148
Name:
2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-14-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H64O14Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD06757
Formula: C27H44O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
