Glycoside
GD116745
Name:
1-[7-({4,6-dihydroxy-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)peroxy]oxan-2-yl}peroxy)-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-oneFormula:
C38H58O18Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OOC5OC(O)C(OOC6OC(C)C(O)C(O)C6O)C(O)C5OOC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CC=C4CC(OO)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OOC2C(O)OC(O)C(OOC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 802.86 | Num_heavy_atoms: | 56 |
| TPSA: | 261.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46423
Formula: C21H30O3
Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OO)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
