Glycoside
GD127460
Name:
[3,4,5-tris(acetyloxy)-6-({2-[4-(acetyloxy)-3-methoxyphenyl]-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}oxolan-3-yl}methoxy)oxan-2-yl]methyl acetateFormula:
C38H46O17Smiles:
COc1cc(CC2COC(c3ccc(OC(C)=O)c(OC)c3)C2COC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)ccc1OC(C)=OAglycone:
COC(C)=O.COc1cc(CC2COC(c3ccc(OC(C)=O)c(OC)c3)C2CO)ccc1OC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 774.77 | Num_heavy_atoms: | 55 |
| TPSA: | 203.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD51613
Formula: C24H28O8
Smiles:
COc1cc(CC2COC(c3ccc(OC(C)=O)c(OC)c3)C2CO)ccc1OC(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 100.52 | NumAromaticRings: | 2 |
