Glycoside
GD009719
Name:
NoneFormula:
C62H115O11N11Smiles:
CCCCCCCCCCCCCC(=O)N[C@H](CCCCNC(=O)CCCCN1CCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNCC1)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCCCN1CCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNCC1)C(=O)NC(CO)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.84 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 34 |
| MolWt: | 1190.67 | Num_heavy_atoms: | 84 |
| TPSA: | 293.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD07597
Formula: C56H105O6N11
Smiles:
CCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCCCN1CCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNCC1)C(=O)NC(CO)C(=O)O| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 31 |
| MolWt: | 1028.53 | Num_heavy_atoms: | 73 |
| TPSA: | 214.7 | NumAromaticRings: | 1 |
