Glycoside
GD120994
Name:
[6-({4a,5,7-trihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C24H30O12Smiles:
CC1(O)CC(O)C2(O)C=COC(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C12Aglycone:
CC1(O)CC(O)C2(O)C=COC(O)C12.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD04911
Formula: C9H14O5
Smiles:
CC1(O)CC(O)C2(O)C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.21 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
