Glycoside
GD148074
Name:
[2,3b,5,7-tetrahydroxy-9a,11a-dimethyl-1-(6-methyl-5-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethyl}hept-3-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxidanesulfonic acidFormula:
C34H58O13SSmiles:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CCOC1OCC(O)C(O)C1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CCOSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.89 | Num_heavy_atoms: | 48 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD59268
Formula: C29H50O9S
Smiles:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CCO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.78 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
