Glycoside
GD005435
Name:
NoneFormula:
C51H69O14N5Smiles:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)NO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H]3CAglycone:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)C(CCC(=O)NO)C3CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 976.13 | Num_heavy_atoms: | 70 |
| TPSA: | 291.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD04619
Formula: C39H49O4N5
Smiles:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)C(CCC(=O)NO)C3C| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.49 |
| AlogP: | 8.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 651.85 | Num_heavy_atoms: | 48 |
| TPSA: | 132.99 | NumAromaticRings: | 3 |
