Glycoside
GD137043
Name:
2-(4,5-dihydroxycyclohex-3-en-1-yl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4a,5,6,7,8,8a-hexahydro-4H-chromen-4-oneFormula:
C27H40O16Smiles:
CC1OC(OCC2OC(OC3=C(C4CC=C(O)C(O)C4)OC4CC(O)CC(O)C4C3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C(O)=C(C2CC=C(O)C(O)C2)OC2CC(O)CC(O)C12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.6 | Num_heavy_atoms: | 43 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55385
Formula: C15H20O7
Smiles:
O=C1C(O)=C(C2CC=C(O)C(O)C2)OC2CC(O)CC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.32 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
