Glycoside

GD127693
Name:
3,4-dimethyl-6-[1-(5,9,16-trihydroxy-10,14-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadecan-15-yl)ethyl]-5,6-dihydro-2H-pyran-2-oneFormula:
C34H52O12Smiles:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 7 | FractionCSP3: | 0.91 |
AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
MolWt: | 652.78 | Num_heavy_atoms: | 46 |
TPSA: | 198.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD51714
Formula: C28H42O7
Smiles:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC32C)C1HBA: | 7 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.89 |
AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
MolWt: | 490.64 | Num_heavy_atoms: | 35 |
TPSA: | 119.75 | NumAromaticRings: | 0 |