Glycoside
GD142186
Name:
4-({6-[(14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4-oxobutanoic acidFormula:
C34H48O13Smiles:
CC1CCCC=CC=CC(O)CC(O)CC=CC=CC(OC2OC(COC(=O)CCC(=O)O)C(O)C(O)C2O)CC=CC=CC(=O)O1Aglycone:
CC1CCCC=CC=CC(O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1.COC(=O)CCC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD04326
Formula: C24H34O5
Smiles:
CC1CCCC=CC=CC(O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD08961
Formula: C5H8O4
Smiles:
COC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
