Glycoside

GD117054
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1âµ,â¸.0¹,¹â°.0²,â¸]octadecane-9-carboxylateFormula:
C26H36O10Smiles:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.85 |
AlogP: | -0.36 | Num_rotatable_bonds: | 3 |
MolWt: | 508.56 | Num_heavy_atoms: | 36 |
TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46605
Formula: C20H26O5
Smiles:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)OC1)C2C3C(=O)OHBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.8 |
AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
MolWt: | 346.42 | Num_heavy_atoms: | 25 |
TPSA: | 83.83 | NumAromaticRings: | 0 |