Glycoside
GD115577
Name:
2-{[9a-(hydroxymethyl)-3a,3b,6,6-tetramethyl-1-(5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-4-en-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O13Smiles:
CC(C)=CCCC(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(CO)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 771.0 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD44862
Formula: C29H50O3
Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.72 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
