Glycoside
GD002491
Name:
NoneFormula:
C35H41O7N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)OC)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 699.77 | Num_heavy_atoms: | 51 |
| TPSA: | 231.63 | 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 |
AD02374
Formula: C28H29O3N8
Smiles:
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 525.59 | Num_heavy_atoms: | 39 |
| TPSA: | 161.48 | NumAromaticRings: | 4 |
