Glycoside
GD137708
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9a,11a-dimethyl-5-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C41H66O16Smiles:
CC(=O)OC1CC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1C1(C)CCC(C(C)(C)O)O1Aglycone:
CC(=O)OC1CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC2(C)C1C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 814.96 | Num_heavy_atoms: | 57 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD55626
Formula: C29H46O6
Smiles:
CC(=O)OC1CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC2(C)C1C1(C)CCC(C(C)(C)O)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
