Glycoside
GD028785
Name:
NoneFormula:
C78H92O26N10Smiles:
N=C(N)NCCCC(NC(=O)CCCOc1ccc(C2c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc2[nH]3)cc1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)OAglycone:
N=C(N)NCCCC(NC(=O)CCCOc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 12 |
| HBD: | 25 | FractionCSP3: | 0.41 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 30 |
| MolWt: | 1585.64 | Num_heavy_atoms: | 114 |
| TPSA: | 594.33 | NumAromaticRings: | 8 |
Unique Aglycone
AD18769
Formula: C60H62O11N10
Smiles:
N=C(N)NCCCC(NC(=O)CCCOc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O| HBA: | 21 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.23 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 21 |
| MolWt: | 1099.21 | Num_heavy_atoms: | 81 |
| TPSA: | 356.88 | NumAromaticRings: | 8 |
