Glycoside
GD109917
Name:
Marsdenoside FFormula:
C39H60O14Smiles:
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]46CC[C@@H](C(C)=O)[C@@]6(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]35)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OAglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 752.9 | Num_heavy_atoms: | 53 |
| TPSA: | 178.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD44592
Formula: C25H36O7
Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.56 | Num_heavy_atoms: | 32 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
