Glycoside

GD131772
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-{3,4,5-trihydroxy-6-[(1,6,7-trihydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-2-yl}methyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioateFormula:
C45H50O19Smiles:
CC(C=CC=C(C)C(=O)OCC1OC(Oc2ccc3oc4cc(O)c(O)cc4c(=O)c3c2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)O.O=c1c2cc(O)c(O)cc2oc2ccc(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 5 |
HBD: | 10 | FractionCSP3: | 0.36 |
AlogP: | 1.59 | Num_rotatable_bonds: | 14 |
MolWt: | 894.88 | Num_heavy_atoms: | 64 |
TPSA: | 312.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD45683
Formula: C21H26O4
Smiles:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.24 |
AlogP: | 4.7 | Num_rotatable_bonds: | 8 |
MolWt: | 342.44 | Num_heavy_atoms: | 25 |
TPSA: | 63.6 | NumAromaticRings: | 0 |
AD53372
Formula: C13H8O6
Smiles:
O=c1c2cc(O)c(O)cc2oc2ccc(O)c(O)c12HBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
MolWt: | 260.2 | Num_heavy_atoms: | 19 |
TPSA: | 111.13 | NumAromaticRings: | 3 |