Glycoside
GD138530
Name:
bis{3,4,5-trihydroxy-6-[(propanoyloxy)methyl]oxan-2-yl} 2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenedioateFormula:
C48H66O16Smiles:
CCC(=O)OCC1OC(OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C(=O)OC2OC(COC(=O)CC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C(=O)O.CCC(=O)OC.CCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 21 |
| MolWt: | 899.04 | Num_heavy_atoms: | 64 |
| TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55907
Formula: C30H38O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 7.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 462.63 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
