Glycoside
GD119332
Name:
2-({16'-hydroxy-5,7',9',13'-tetramethyl-14'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-5-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H60O14Smiles:
CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC32C)OC12CCC(C)(COC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(C)(CO)O2Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47790
Formula: C27H42O5
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(C)(CO)O2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
