Glycoside
GD114972
Name:
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxycyclohex-1-en-1-yl)-octahydro-2H-1-benzopyran-4-oneFormula:
C27H42O15Smiles:
O=C1CC(C2=CCC(O)CC2)OC2C1C(O)CC(O)C2C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1CC(C2=CCC(O)CC2)OC2CC(O)CC(O)C12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | -4.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 606.62 | Num_heavy_atoms: | 42 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45392
Formula: C15H22O5
Smiles:
O=C1CC(C2=CCC(O)CC2)OC2CC(O)CC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
