Glycoside
GD136988
Name:
2-[1-(2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O13Smiles:
CC1(C(CO)OC2OC(CO)C(O)C(O)C2O)C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2CC1Aglycone:
CC1(C(O)CO)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.77 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06449
Formula: C20H34O3
Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
