Glycoside
GD155991
Name:
2-methyl-6-{5,7',9',13'-tetramethyl-14'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-8'-oloxy}oxane-3,4,5-triolFormula:
C38H60O13Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(C)C(O)C(O)C6O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45920
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1(O)C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
