Glycoside
GD125343
Name:
1-(3a-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-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:
C43H70O13Smiles:
COCC(=O)C1CCC2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12CAglycone:
COCC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 795.02 | Num_heavy_atoms: | 56 |
| TPSA: | 149.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50690
Formula: C22H34O4
Smiles:
COCC(=O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
