Glycoside
GD000210
Name:
NoneFormula:
C42H49O8N3Smiles:
CCC[C@@H]1[C@@H]2CCc3cc(OCc4cn(C[C@@H]5O[C@H](OC)[C@H](OC(=O)c6ccccc6)[C@H]5OC(=O)c5ccccc5)nn4)ccc3[C@H]2CC[C@@]1(C)COAglycone:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)CO.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 723.87 | Num_heavy_atoms: | 53 |
| TPSA: | 131.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00244
Formula: C23H33O2N3
Smiles:
CCCC1C2CCc3cc(OCc4cn(C)nn4)ccc3C2CCC1(C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.54 | Num_heavy_atoms: | 28 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
