Glycoside
GD121872
Name:
6-[(6-{[3a-hydroxy-9a,11a-dimethyl-1-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-5-hydroxy-4-methoxy-2-methyloxan-3-yl 2-methylbut-2-enoateFormula:
C46H74O16Smiles:
CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C(C(C)OC6OC(CO)C(O)C(O)C6O)CCC54O)C3)CC2OC)C(O)C1OCAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C.CC=C(C)C(=O)OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 883.08 | Num_heavy_atoms: | 62 |
| TPSA: | 221.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46291
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
