Glycoside
GD007565
Name:
NoneFormula:
C108H144O29N22S2Smiles:
N=C(N)NCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCCNC(=N)N)[C@@H](OC(=O)CCCCCNC(=N)N)[C@H](O[C@H]2O[C@@H](COC(=O)CCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)[C@@H](OC(=O)CCCCCNC(=N)N)[C@@H](OC(=O)CCCCCNC(=N)N)[C@@H]2OC(=O)CCCCCNC(=N)N)O[C@@H]1COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1.COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 51 | RingCount: | 10 |
| HBD: | 32 | FractionCSP3: | 0.48 |
| AlogP: | 8.93 | Num_rotatable_bonds: | 66 |
| MolWt: | 2278.6 | Num_heavy_atoms: | 161 |
| TPSA: | 833.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD03887
Formula: C7H15O2N3
Smiles:
N=C(N)NCCCCCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 173.22 | Num_heavy_atoms: | 12 |
| TPSA: | 99.2 | NumAromaticRings: | 0 |
AD06142
Formula: C28H26O7N2S
Smiles:
COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.59 | Num_heavy_atoms: | 38 |
| TPSA: | 138.1 | NumAromaticRings: | 2 |
