Glycoside
GD129763
Name:
NoneFormula:
C20H29O5N5Smiles:
CN(C)CCN=C(O)CC1OC(Cn2cc(COc3ccccc3)nn2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.Cn1cc(COc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 419.48 | Num_heavy_atoms: | 30 |
| TPSA: | 125.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD06148
Formula: C10H11ON3
Smiles:
Cn1cc(COc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.94 | NumAromaticRings: | 2 |
AD45401
Formula: C6H14ON2
Smiles:
CC(O)=NCCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
