Glycoside
GD137158
Name:
6-[(5-hydroxy-6-{[1-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl acetateFormula:
C37H60O11Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(C=CC5C4CCC4(C)C5CCC4(O)C(C)O)C3)C(O)C2OC)OC(C)C1OC(C)=OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 680.88 | Num_heavy_atoms: | 48 |
| TPSA: | 142.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46010
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
