Glycoside
GD157533
Name:
2-[(2-{[7,11-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3b,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-3a-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C41H70O13Smiles:
CC(C)=CCCC(C)(O)C1CCC2(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(O)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 771.0 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD62274
Formula: C29H50O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(O)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
