Glycoside
GD129265
Name:
1-acetyl-1,3a-dihydroxy-7-({5-[(5-hydroxy-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-11-yl acetateFormula:
C37H58O12Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C4CC(OC(C)=O)C4(C)C(O)(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.86 | Num_heavy_atoms: | 49 |
| TPSA: | 159.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47639
Formula: C23H34O6
Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
