Glycoside
GD119833
Name:
6-acetyl-5,8-dihydroxy-7-methyl-4-{[3,4,5-trihydroxy-6-(1-hydroxy-2-pentylcyclohexyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C30H40O11Smiles:
CCCCCC1CCCCC1(O)C1OC(Oc2cc(C(=O)O)cc3c(O)c(C)c(C(C)=O)c(O)c23)C(O)C(O)C1OAglycone:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O.CCCCCC1CCCCC1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.64 | Num_heavy_atoms: | 41 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47220
Formula: C14H12O6
Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
AD48071
Formula: C11H22O
Smiles:
CCCCCC1CCCCC1O| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 170.3 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
