Glycoside
GD150351
Name:
2-({4,5-dihydroxy-2-[7-(hydroxymethyl)-6'-(1-hydroxypropan-2-yl)-4a,4b,7,10a-tetramethyl-hexadecahydro-1H-spiro[chrysene-2,3'-oxan]-1-oloxy]oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O14Smiles:
CC(CO)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(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(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 787.0 | Num_heavy_atoms: | 55 |
| TPSA: | 228.22 | 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 |
