Glycoside
GD124275
Name:
[3,4-bis(acetyloxy)-5-[2-(benzyloxy)benzamido]-6-[(2-phenylacetyl)oxy]oxan-2-yl]methyl acetateFormula:
C34H35O11NSmiles:
CC(=O)OCC1OC(OC(=O)Cc2ccccc2)C(N=C(O)c2ccccc2OCc2ccccc2)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C(O)c1ccccc1OCc1ccccc1.O=C(O)Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 633.65 | Num_heavy_atoms: | 46 |
| TPSA: | 156.25 | NumAromaticRings: | 3 |
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 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD50193
Formula: C14H13O2N
Smiles:
N=C(O)c1ccccc1OCc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 227.26 | Num_heavy_atoms: | 17 |
| TPSA: | 53.31 | NumAromaticRings: | 2 |
