Glycoside
GD130512
Name:
ethyl 10-(acetyloxy)-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylateFormula:
C39H54O16Smiles:
CCOC(=O)C12CCC(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)CC1(O)CCC1C2C(OC(C)=O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CCOC(=O)C12CCC(O)CC1(O)CCC1C2C(OC(C)=O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 778.85 | Num_heavy_atoms: | 55 |
| TPSA: | 216.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD52889
Formula: C27H38O9
Smiles:
CCOC(=O)C12CCC(O)CC1(O)CCC1C2C(OC(C)=O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.59 | Num_heavy_atoms: | 36 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
