Glycoside
GD142472
Name:
2-[(2-{[7,11-dihydroxy-1-(2-hydroxy-6-methyloct-5-en-2-yl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C42H72O13Smiles:
CCC(C)=CCCC(C)(O)C1CCC2(C)C3CC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Aglycone:
CCC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Sugarmoiety:
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: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 785.03 | Num_heavy_atoms: | 55 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD57330
Formula: C30H52O4
Smiles:
CCC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
