Glycoside
GD130537
Name:
2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C38H60O13Smiles:
CC1C2C(CC3C4CC=C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.88 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD04584
Formula: C27H42O4
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
