Glycoside
GD138563
Name:
3-benzyl-1-hydroxy-2-{[3,4,5-trihydroxy-6-(1-hydroxycyclopentyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C31H30O9Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(OC1OC(C3(O)CCCC3)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O.OC1CCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.57 | Num_heavy_atoms: | 40 |
| TPSA: | 153.75 | 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 |
AD51143
Formula: C21H14O4
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
