Glycoside
GD129863
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-7a-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4a-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H34O15Smiles:
CC12C(CO)=CC(O)C1(OC1OC(CO)C(O)C(O)C1O)C=COC2OC1OC(CO)C(O)C(O)C1OAglycone:
CC12C(CO)=CC(O)C1(O)C=COC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | -5.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.5 | Num_heavy_atoms: | 37 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52610
Formula: C10H14O5
Smiles:
CC12C(CO)=CC(O)C1(O)C=COC2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
