Glycoside
GD035434
Name:
NoneFormula:
C34H46O11N6Smiles:
CN1C(=O)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)N(C)CC=C1C(=O)Nc1ccc(C2CCCCC2)cc1Aglycone:
CN1C(=O)C(CO)N(C)CC=C1C(=O)Nc1ccc(C2CCCCC2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 714.77 | Num_heavy_atoms: | 51 |
| TPSA: | 242.14 | NumAromaticRings: | 2 |
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 |
AD22419
Formula: C21H29O3N3
Smiles:
CN1C(=O)C(CO)N(C)CC=C1C(=O)Nc1ccc(C2CCCCC2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.48 | Num_heavy_atoms: | 27 |
| TPSA: | 72.88 | NumAromaticRings: | 1 |
