Glycoside
GD145050
Name:
Marsdenoside AFormula:
C45H70O14Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C12CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 835.04 | Num_heavy_atoms: | 59 |
| TPSA: | 178.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD54502
Formula: C31H46O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.7 | Num_heavy_atoms: | 38 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
