Glycoside
GD129717
Name:
2-{[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H48O8Smiles:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC2)O1Aglycone:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 524.7 | Num_heavy_atoms: | 37 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52551
Formula: C23H38O3
Smiles:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2)O1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.55 | Num_heavy_atoms: | 26 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
