Glycoside
GD153468
Name:
(3,3b,5,6-tetrahydroxy-9a,11a-dimethyl-1-{6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxidanesulfonic acidFormula:
C32H56O13SSmiles:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)C(O)C3C(O)CC12O)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)C(O)C3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.85 | Num_heavy_atoms: | 46 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD61036
Formula: C27H48O9S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)C(O)C3C(O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.74 | Num_heavy_atoms: | 37 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
