Glycoside
GD155339
Name:
Marstomentoside AFormula:
C71H103O24NSmiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)OC(=O)c5cccnc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 25 | RingCount: | 11 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 21 |
| MolWt: | 1354.59 | Num_heavy_atoms: | 96 |
| TPSA: | 305.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD05054
Formula: C36H43O8N
Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.74 | Num_heavy_atoms: | 45 |
| TPSA: | 146.41 | NumAromaticRings: | 2 |
Sugarmoiety
SD08533
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1