Glycoside
GD031485
Name:
NoneFormula:
C38H65O11N7Smiles:
CCCCCCCC(=O)NCCCC[C@H](N)C(=O)N[C@H](CCCCNC(=O)CCCCCCC)C(=O)N[C@H](C(=O)O)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCC(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)CCCCCCC)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 29 |
| MolWt: | 795.98 | Num_heavy_atoms: | 56 |
| TPSA: | 284.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20279
Formula: C30H57O6N5
Smiles:
CCCCCCCC(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)CCCCCCC)C(=O)NCC(=O)O| HBA: | 11 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 27 |
| MolWt: | 583.82 | Num_heavy_atoms: | 41 |
| TPSA: | 179.72 | NumAromaticRings: | 0 |
