Glycoside
GD128712
Name:
2-(hydroxymethyl)-6-{[6-methyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy}oxane-3,4,5-triolFormula:
C27H44O12Smiles:
CC1=CC2C(=C(COC3OC(CO)C(O)C(O)C3O)CCC2C(C)COC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
CC1=CC2C(=C(CO)CCC2C(C)CO)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.64 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52135
Formula: C15H24O2
Smiles:
CC1=CC2C(=C(CO)CCC2C(C)CO)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
