Glycoside
GD128489
Name:
5-(hydroxymethyl)-6-({5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl}oxy)cyclohexane-1,2,3,4-tetrolFormula:
C21H32O13Smiles:
CC1OC(OC2C3C=COC(OC4C(O)C(O)C(O)C(O)C4CO)C3C3OC23)C(O)C(O)C1OAglycone:
OCC1C(O)C(O)C(O)C(O)C1OC1OC=CC2C(O)C3OC3C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 211.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50553
Formula: C15H22O9
Smiles:
OCC1C(O)C(O)C(O)C(O)C1OC1OC=CC2C(O)C3OC3C12| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 152.37 | NumAromaticRings: | 0 |
