Glycoside
GD010786
Name:
NoneFormula:
C41H76O11N10Smiles:
CCCCCCCCCCCCCCCCNC(=O)[C@H](NCCCNC(=O)[C@H](N)CCCNC(=N)N)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCNC(=O)C(CO)NCCCNC(=O)C(N)CCCNC(=N)N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.83 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 885.12 | Num_heavy_atoms: | 62 |
| TPSA: | 347.64 | 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 |
AD08285
Formula: C28H59O3N7
Smiles:
CCCCCCCCCCCCCCCCNC(=O)C(CO)NCCCNC(=O)C(N)CCCNC(=N)N| HBA: | 10 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 27 |
| MolWt: | 541.83 | Num_heavy_atoms: | 38 |
| TPSA: | 178.38 | NumAromaticRings: | 0 |
