Glycoside
GD017712
Name:
NoneFormula:
C30H33O11N3Smiles:
COc1ccc(-n2c(C)nc3ccc(NC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1Aglycone:
COC(C)=O.COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 611.6 | Num_heavy_atoms: | 44 |
| TPSA: | 170.58 | 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 |
AD12616
Formula: C16H15O2N3
Smiles:
COc1ccc(-n2c(C)nc3ccc(N)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 281.31 | Num_heavy_atoms: | 21 |
| TPSA: | 70.14 | NumAromaticRings: | 3 |
