Glycoside
GD136090
Name:
1-[2,3,4-trihydroxy-5-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)cyclohexyl]methyl 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioateFormula:
C46H52O18Smiles:
CC(C=CC=C(C)C(=O)OCC1CC(c2c(O)cc3oc4cc(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:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OCC1CC(c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 892.9 | Num_heavy_atoms: | 64 |
| TPSA: | 314.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD55012
Formula: C40H42O13
Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OCC1CC(c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.76 | Num_heavy_atoms: | 53 |
| TPSA: | 235.42 | NumAromaticRings: | 3 |
