Glycoside
GD126958
Name:
2-({8',16'-dihydroxy-7',9',13'-trimethyl-5'-oxaspiro[oxane-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:
C33H52O10Smiles:
CC1C2(CCC(COC3OC(CO)C(O)C(O)C3O)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OAglycone:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 608.77 | Num_heavy_atoms: | 43 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD45088
Formula: C27H42O5
Smiles:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O| 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 |
