Glycoside
GD150531
Name:
7-{[3-(acetyloxy)-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-8-yl acetateFormula:
C41H58O18Smiles:
COC1C(OC2OC(CO)C(O)C(O)C2O)C(C)OC(OC2CC3(O)CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C=O)CC2OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC2(C=O)C3CCC4(C)C(c5ccc(=O)oc5)CCC4(O)C3CCC2(O)CC1OSugarmoiety:
COC1C(OC2OC(CO)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 838.9 | Num_heavy_atoms: | 59 |
| TPSA: | 267.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD51399
Formula: C26H34O8
Smiles:
CC(=O)OC1CC2(C=O)C3CCC4(C)C(c5ccc(=O)oc5)CCC4(O)C3CCC2(O)CC1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.55 | Num_heavy_atoms: | 34 |
| TPSA: | 134.27 | NumAromaticRings: | 1 |
