Glycoside
GD149609
Name:
6-{[9a-(hydroxymethyl)-11a-methyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C34H56O7Smiles:
CC(=O)OC1COC(OC2CCC3(CO)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.82 | Num_heavy_atoms: | 41 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD59810
Formula: C27H46O2
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.66 | Num_heavy_atoms: | 29 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
