Glycoside
GD124640
Name:
3-[4-({5-[(acetyloxy)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acidFormula:
C37H60O10Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(OC1OC(COC(C)=O)C(O)C1O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12CAglycone:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50364
Formula: C30H50O5
Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
