Glycoside
GD005720
Name:
sodium(e)-((1r,4as,4bs,8as,10as)-1-(2-((2s,3s,4r,5r)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1h,3h,4bh)-ylidene)methyl sulfateFormula:
C27H46O9SSmiles:
CO[C@H]1O[C@@H](OC)[C@](O)(CC[C@@H]2C(=COS(=O)(=O)O)CC[C@H]3[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@H]1OAglycone:
CCC1C(=COS(=O)(=O)O)CCC2C1(C)CCC1C(C)(C)CCCC12CSugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.72 | Num_heavy_atoms: | 37 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04820
Formula: C21H36O4S
Smiles:
CCC1C(=COS(=O)(=O)O)CCC2C1(C)CCC1C(C)(C)CCCC12C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.58 | Num_heavy_atoms: | 26 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
