Glycoside
GD129959
Name:
1-(7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3a,9a,11a-trimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C40H62O15Smiles:
CC(=O)C1=CCC2(C)C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 782.92 | Num_heavy_atoms: | 55 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD52653
Formula: C22H32O2
Smiles:
CC(=O)C1=CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.5 | Num_heavy_atoms: | 24 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
