Glycoside
GD130178
Name:
{7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-2,3b,5-trihydroxy-1-[7-hydroxy-5-(propan-2-yl)heptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl}oxidanesulfonic acidFormula:
C35H60O13SSmiles:
COC1C(OC2C=C3C(O)CC4(O)C(CCC5(C)C(C(C)CCC(CCO)C(C)C)C(O)C(OS(=O)(=O)O)C54)C3(C)CC2)OCC(O)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 720.92 | Num_heavy_atoms: | 49 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD51510
Formula: C29H50O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.78 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
