Glycoside
GD127852
Name:
2-{[3a,6,6,9a,11a-pentamethyl-1-(3,5,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC(C(O)CC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3=CCC12CAglycone:
CC(C(O)CC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD51784
Formula: C30H52O4
Smiles:
CC(C(O)CC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C| 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 |
