Glycoside

GD151216
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadecane-9-carboxylateFormula:
C25H34O10Smiles:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.84 |
AlogP: | -0.61 | Num_rotatable_bonds: | 3 |
MolWt: | 494.54 | Num_heavy_atoms: | 35 |
TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60329
Formula: C19H24O5
Smiles:
C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OHBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.79 |
AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
MolWt: | 332.4 | Num_heavy_atoms: | 24 |
TPSA: | 83.83 | NumAromaticRings: | 0 |