Glycoside
GD115601
Name:
4-{3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6b-hydroxy-11b-methyl-10-methylidene-hexadecahydro-1H-cyclohexa[a]fluoren-9-yl}-2,5-dihydrofuran-2-oneFormula:
C35H52O13Smiles:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CCC21CAglycone:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(O)CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.79 | Num_heavy_atoms: | 48 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45759
Formula: C23H32O4
Smiles:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
