Glycoside
GD005785
Name:
NoneFormula:
C29H49O12N5Smiles:
CCCCCCCCCCCCNC(=O)N[C@H](C(=O)O)[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:
CCCCCCCCCCCCNC(=O)NC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 19 |
| MolWt: | 659.73 | Num_heavy_atoms: | 46 |
| TPSA: | 267.92 | 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 |
AD04862
Formula: C16H32O4N2
Smiles:
CCCCCCCCCCCCNC(=O)NC(CO)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 316.44 | Num_heavy_atoms: | 22 |
| TPSA: | 98.66 | NumAromaticRings: | 0 |
