Glycoside
GD128925
Name:
[3,3b,7-trihydroxy-9a,11a-dimethyl-1-(6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxidanesulfonic acidFormula:
C33H58O13SSmiles:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.88 | Num_heavy_atoms: | 47 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52221
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(OS(=O)(=O)O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
