Glycoside
GD148644
Name:
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-oxacyclododeca-3,9-dien-2-oneFormula:
C17H26O8Smiles:
O=C1C=CCCC(OC2OC(CO)C(O)C(O)C2O)CC=CCCO1Aglycone:
O=C1C=CCCC(O)CC=CCCO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.39 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59470
Formula: C11H16O3
Smiles:
O=C1C=CCCC(O)CC=CCCO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 196.25 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
