Glycoside
GD000233
Name:
NoneFormula:
C24H31O5N7Smiles:
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC=CCNC(=O)OCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CN(C)CC=CCNC(=O)OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 497.56 | Num_heavy_atoms: | 36 |
| TPSA: | 160.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00270
Formula: C14H20O2N2
Smiles:
CN(C)CC=CCNC(=O)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 248.33 | Num_heavy_atoms: | 18 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
