Glycoside
GD138509
Name:
5,8-dihydroxy-7-methyl-6-(3-phenylpropanoyl)-4-{[3,4,5-trihydroxy-6-(1-hydroxycyclopentyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C31H34O11Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(OC3OC(C4(O)CCCC4)C(O)C(O)C3O)cc(C(=O)O)cc2c1OAglycone:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1O.OC1CCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.6 | Num_heavy_atoms: | 42 |
| TPSA: | 194.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD48122
Formula: C21H18O6
Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.37 | Num_heavy_atoms: | 27 |
| TPSA: | 115.06 | NumAromaticRings: | 3 |
