Glycoside
GD034356
Name:
NoneFormula:
C30H29O6N7Smiles:
COc1ccc2[nH]cc(CCNC(=O)C=C[C@@H]3O[C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)[C@H](O)[C@H]3O)c2c1Aglycone:
C=CC(=O)NCCc1c[nH]c2ccc(OC)cc12.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 583.61 | Num_heavy_atoms: | 43 |
| TPSA: | 176.51 | NumAromaticRings: | 5 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD21849
Formula: C14H16O2N2
Smiles:
C=CC(=O)NCCc1c[nH]c2ccc(OC)cc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 244.29 | Num_heavy_atoms: | 18 |
| TPSA: | 54.12 | NumAromaticRings: | 2 |
