Glycoside
GD123405
Name:
Notoginsenoside CFormula:
C54H92O25Smiles:
C=C(C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)OOAglycone:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OOSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.96 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 18 |
| MolWt: | 1141.31 | Num_heavy_atoms: | 79 |
| TPSA: | 406.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49795
Formula: C30H52O5
Smiles:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C)OO| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
