Glycoside
GD147038
Name:
2-({6-[(4,5-dihydroxy-6-{[3-hydroxy-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C32H52O16Smiles:
C=C(C)C1CCC2=C(C1)C(C)C(OC1OC(CO)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C1O)C(O)C2Aglycone:
C=C(C)C1CCC2=C(C1)C(C)C(O)C(O)C2Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.75 | Num_heavy_atoms: | 48 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58588
Formula: C14H22O2
Smiles:
C=C(C)C1CCC2=C(C1)C(C)C(O)C(O)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.33 | Num_heavy_atoms: | 16 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
