Glycoside
GD131248
Name:
2-{2-[1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-spiro[chrysene-2,3'-oxan]-6'-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O15Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2O)CO1Aglycone:
CC(CO)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2O)CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45343
Formula: C30H52O5
Smiles:
CC(CO)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2O)CO1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
