Glycoside
GD115437
Name:
1-(1,3a-dihydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methoxyethan-1-oneFormula:
C42H68O14Smiles:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(OC5CC(O)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12CAglycone:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 181.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45664
Formula: C22H34O5
Smiles:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.51 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
