Glycoside
GD138131
Name:
1-{[5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]oxy}-3-(4-hydroxyphenyl)-1-oxopropan-2-yl 2-hydroxy-3-methylbutanoateFormula:
C36H52O15Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 238.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD55778
Formula: C30H42O10
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(CO)C2C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
