Glycoside
GD151041
Name:
1-acetyl-7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-3a,3b,11-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl acetateFormula:
C36H56O14Smiles:
COC1C(O)C(C)OC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4C(OC(C)=O)C(O)C4(C)C(C(C)=O)CCC54O)C3)OC2C)C1OAglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OSugarmoiety:
COC1C(O)C(C)OC(OC2C(O)CC(O)OC2C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.83 | Num_heavy_atoms: | 50 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55834
Formula: C23H34O7
Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
