Glycoside
GD123519
Name:
2-[(2-{[11,11a-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3(C)CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C12OAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49858
Formula: C30H52O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12O| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
