Glycoside
GD140976
Name:
2-[(8-hydroxy-1,4a-dimethyl-5-{3-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pent-3-en-1-yl}-6-methylidene-decahydronaphthalen-1-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O12Smiles:
C=C1CC(O)C2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC(C)=CCOC1OC(C)C(O)C(O)C1OAglycone:
C=C1CC(O)C2C(C)(CO)CCCC2(C)C1CCC(C)=CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.77 | Num_heavy_atoms: | 44 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52426
Formula: C20H34O3
Smiles:
C=C1CC(O)C2C(C)(CO)CCCC2(C)C1CCC(C)=CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
