Glycoside

GD127967
Name:
10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-hydroxy-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1(9),2,7-trien-12-oneFormula:
C27H30O13Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.52 |
AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
MolWt: | 562.52 | Num_heavy_atoms: | 40 |
TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD04665
Formula: C21H20O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OHBA: | 8 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.38 |
AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
MolWt: | 400.38 | Num_heavy_atoms: | 29 |
TPSA: | 103.68 | NumAromaticRings: | 2 |