Glycoside
GD156015
Name:
2-{[1-hydroxy-3,8-dimethyl-5-(propan-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H42O13Smiles:
Cc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(C)C(OC1OC(CO)C(O)C(O)C1O)CC2C(C)CAglycone:
Cc1cc2c(c(O)c1O)C(C)C(O)CC2C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.62 | Num_heavy_atoms: | 40 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD61599
Formula: C15H22O3
Smiles:
Cc1cc2c(c(O)c1O)C(C)C(O)CC2C(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
