Glycoside
GD129841
Name:
(1-{5-ethyl-6-methyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-2,3,3b,5-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxidanesulfonic acidFormula:
C34H60O13SSmiles:
CCC(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12O)C(C)COC1OCC(O)C(O)C1OAglycone:
CCC(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12O)C(C)COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 708.91 | Num_heavy_atoms: | 48 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52602
Formula: C29H52O9S
Smiles:
CCC(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12O)C(C)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.79 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
