Glycoside

GD152009
Name:
2-[4,9,14-trihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-[(3,4,5-trihydroxy-6-{[(2-methylbut-3-en-2-yl)oxy]methyl}oxan-2-yl)oxy]tricyclo[9.3.0.0³,â·]tetradeca-1,6-dien-6-yl]propyl acetateFormula:
C34H54O12Smiles:
C=CC(C)(C)OCC1OC(OC2C3=C(C(C)COC(C)=O)CC(O)C3(C)C=C3C(CCC3(O)COC)C(C)C2O)C(O)C(O)C1OAglycone:
C=CC(C)(C)OC.COCC1(O)CCC2C1=CC1(C)C(=C(C(C)COC(C)=O)CC1O)C(O)C(O)C2CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.79 |
AlogP: | 1.15 | Num_rotatable_bonds: | 11 |
MolWt: | 654.79 | Num_heavy_atoms: | 46 |
TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD23211
Formula: C6H12O
Smiles:
C=CC(C)(C)OCHBA: | 1 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
MolWt: | 100.16 | Num_heavy_atoms: | 7 |
TPSA: | 9.23 | NumAromaticRings: | 0 |
AD60561
Formula: C23H36O7
Smiles:
COCC1(O)CCC2C1=CC1(C)C(=C(C(C)COC(C)=O)CC1O)C(O)C(O)C2CHBA: | 7 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.78 |
AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
MolWt: | 424.53 | Num_heavy_atoms: | 30 |
TPSA: | 116.45 | NumAromaticRings: | 0 |