Glycoside
GD137008
Name:
2-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O12Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 755.0 | Num_heavy_atoms: | 53 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD55370
Formula: C29H50O2
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.72 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
