Glycoside
GD034110
Name:
NoneFormula:
C34H38O4N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1ccc(CCNc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 622.73 | Num_heavy_atoms: | 46 |
| TPSA: | 172.47 | NumAromaticRings: | 5 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD21717
Formula: C27H26N7
Smiles:
Nc1ccc(CCNc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.55 | Num_heavy_atoms: | 34 |
| TPSA: | 102.32 | NumAromaticRings: | 4 |
