Glycoside
GD037319
Name:
NoneFormula:
C38H54O14N10P2SSmiles:
Cc1ncsc1-c1ccc(CNC(=O)C2C[C@H](O)CN2C(=O)[C@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)C(C)(C)C)cc1Aglycone:
COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 19 |
| MolWt: | 968.92 | Num_heavy_atoms: | 65 |
| TPSA: | 356.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD17842
Formula: C29H45O10N5P2S
Smiles:
COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 717.72 | Num_heavy_atoms: | 47 |
| TPSA: | 216.72 | NumAromaticRings: | 2 |
