Glycoside
GD010709
Name:
NoneFormula:
C25H33O6N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCN4CCN(c5cccc(C(=O)O)c5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCN2CCN(c3cccc(C(=O)O)c3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.6 | Num_heavy_atoms: | 40 |
| TPSA: | 204.22 | NumAromaticRings: | 3 |
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 |
AD08232
Formula: C18H21O2N8
Smiles:
Nc1nc(NCCN2CCN(c3cccc(C(=O)O)c3)CC2)nc2c1N=C[N]2| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.42 | Num_heavy_atoms: | 28 |
| TPSA: | 134.07 | NumAromaticRings: | 2 |
