Glycoside
GD001577
Name:
NoneFormula:
C38H52O6N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NCCN(C(C)C)C(C)C)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(CCNC(=O)NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C(C)C.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 17 |
| MolWt: | 744.9 | Num_heavy_atoms: | 54 |
| TPSA: | 207.89 | NumAromaticRings: | 4 |
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 |
AD01569
Formula: C31H40O2N9
Smiles:
CC(C)N(CCNC(=O)NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C(C)C| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 570.72 | Num_heavy_atoms: | 42 |
| TPSA: | 137.74 | NumAromaticRings: | 3 |
