Glycoside
GD149781
Name:
2-(hydroxymethyl)-6-{[2-(hydroxymethyl)-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopent-2-en-1-yl]methoxy}oxane-3,4,5-triolFormula:
C21H36O13Smiles:
OCC1=C(CCOC2OC(CO)C(O)C(O)C2O)CCC1COC1OC(CO)C(O)C(O)C1OAglycone:
OCCC1=C(CO)C(CO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 496.51 | Num_heavy_atoms: | 34 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50884
Formula: C9H16O3
Smiles:
OCCC1=C(CO)C(CO)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
