Glycoside

GD115838
Name:
16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹â°.0â´,â¸.0¹â´,¹â¹]icosa-1(12),2,10,14,16,18-hexaen-20-oneFormula:
C24H24O12Smiles:
COC1C(CO)OC(Oc2cc(O)c3c(=O)c4c(O)c5c(cc4oc3c2)OC2OCCC52)C(O)C1OAglycone:
O=c1c2c(O)cc(O)cc2oc2cc3c(c(O)c12)C1CCOC1O3Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.46 |
AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
MolWt: | 504.44 | Num_heavy_atoms: | 36 |
TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45900
Formula: C17H12O7
Smiles:
O=c1c2c(O)cc(O)cc2oc2cc3c(c(O)c12)C1CCOC1O3HBA: | 7 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.24 |
AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
MolWt: | 328.28 | Num_heavy_atoms: | 24 |
TPSA: | 109.36 | NumAromaticRings: | 3 |