Glycoside
GD035715
Name:
NoneFormula:
C55H74O14N6Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)NN=Cc7ccncc7)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)NN=Cc7ccncc7)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=CNN=Cc1ccncc1.O=CNN=Cc1ccncc1Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 1043.23 | Num_heavy_atoms: | 75 |
| TPSA: | 290.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD05322
Formula: C31H48O4
Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD22585
Formula: C7H7ON3
Smiles:
O=CNN=Cc1ccncc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 54.35 | NumAromaticRings: | 1 |
