Glycoside
GD014363
Name:
NoneFormula:
C51H60O8N2Smiles:
CC1(C)COC(CCN[C@H](Cc2ccccc2)C(=O)N[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H]2OCc2ccccc2)OC1Aglycone:
CC1(C)COC(CCNC(Cc2ccccc2)C(N)=O)OC1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 21 |
| MolWt: | 829.05 | Num_heavy_atoms: | 61 |
| TPSA: | 105.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD10570
Formula: C17H26O3N2
Smiles:
CC1(C)COC(CCNC(Cc2ccccc2)C(N)=O)OC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 306.41 | Num_heavy_atoms: | 22 |
| TPSA: | 73.58 | NumAromaticRings: | 1 |
