Glycoside
GD013216
Name:
NoneFormula:
C42H52O6N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NCc4ccc(CN(CC)CC)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCN(CC)Cc1ccc(CNC(=O)NCCNC(=O)c2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 18 |
| MolWt: | 792.94 | Num_heavy_atoms: | 58 |
| TPSA: | 207.89 | 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 |
AD09889
Formula: C35H40O2N9
Smiles:
CCN(CC)Cc1ccc(CNC(=O)NCCNC(=O)c2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)cc1| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 618.77 | Num_heavy_atoms: | 46 |
| TPSA: | 137.74 | NumAromaticRings: | 4 |
