Glycoside
GD142841
Name:
2-{[2-({5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H30O15Smiles:
OCC1OC(OC2C(O)C(CO)OC(OC3OC=CC4(O)C(O)C5OC5C34)C2O)C(O)C(O)C1OAglycone:
OC1OC=CC2(O)C(O)C3OC3C12Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -6.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.45 | Num_heavy_atoms: | 35 |
| TPSA: | 240.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56892
Formula: C8H10O5
Smiles:
OC1OC=CC2(O)C(O)C3OC3C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.16 | Num_heavy_atoms: | 13 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
