Glycoside
GD143711
Name:
2-{[1,1,4a,6-tetramethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O12Smiles:
CC1=CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCC2C(C)(C)C(O)CCC2(C)C1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.65 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD45595
Formula: C15H26O2
Smiles:
CC1=CCC2C(C)(C)C(O)CCC2(C)C1CO| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
