Glycoside
GD153578
Name:
1-[2,3,4-trihydroxy-5-(3,6,7-trihydroxy-9-oxo-9H-xanthen-2-yl)cyclohexyl]methyl 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,11,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaenedioateFormula:
C45H50O17Smiles:
CC(C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O)=CC=CC=CC=CC=C(C)C(=O)OCC1CC(c2cc3c(=O)c4cc(O)c(O)cc4oc3cc2O)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=CC=CC=C(C)C(=O)OCC1CC(c2cc3c(=O)c4cc(O)c(O)cc4oc3cc2O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 862.88 | Num_heavy_atoms: | 62 |
| TPSA: | 294.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD61062
Formula: C39H40O12
Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=CC=CC=C(C)C(=O)OCC1CC(c2cc3c(=O)c4cc(O)c(O)cc4oc3cc2O)C(O)C(O)C1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.74 | Num_heavy_atoms: | 51 |
| TPSA: | 215.19 | NumAromaticRings: | 3 |
