Glycoside
GD030805
Name:
Marsdenoside GFormula:
C40H62O13Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H]2[C@]3(CC[C@@H]4C[C@@H](O[C@@H]5C[C@H](OC)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](OC)[C@H]6O)[C@H](C)O5)CC[C@@]24C)O[C@]32CC[C@H](C(C)=O)[C@@]2(C)[C@H]1OAglycone:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 171.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD18579
Formula: C26H38O6
Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.58 | Num_heavy_atoms: | 32 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
