Glycoside
GD114727
Name:
(6-{[3,4-dihydroxy-2,2,5,5-tetramethyl-3-(3-methylbut-2-enoyl)cyclopentyl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C27H38O13Smiles:
CC(C)=CC(=O)C1(O)C(O)C(C)(C)C(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C1(C)CAglycone:
CC(C)=CC(=O)C1(O)C(O)C(C)(C)C(O)C1(C)C.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 223.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD45238
Formula: C14H24O4
Smiles:
CC(C)=CC(=O)C1(O)C(O)C(C)(C)C(O)C1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.34 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
