Glycoside
GD155989
Name:
6-[(9a,11a-dimethyl-1-{4-[(2-sulfoethyl)carbamoyl]butan-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H53O11NSSmiles:
CC(CCC(O)=NCCS(=O)(=O)O)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(CCC(O)=NCCS(=O)(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 659.84 | Num_heavy_atoms: | 45 |
| TPSA: | 203.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD61810
Formula: C26H45O5NS
Smiles:
CC(CCC(O)=NCCS(=O)(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.72 | Num_heavy_atoms: | 33 |
| TPSA: | 107.19 | NumAromaticRings: | 0 |
