Glycoside
GD029483
Name:
NoneFormula:
C49H76O20N2Smiles:
CCOC(=O)CNC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@@H]3CC[C@]4(C)C5C(=O)C[C@]6(C)C(CC7O[C@]8(CC[C@H](C)CO8)[C@H](C)C76)C5CC[C@H]4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)NCC(=O)OCCAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.CCOC(=O)CNC(=O)O.CCOC(=O)CNC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(OC2C(CO)OC(O)C(O)C2O)O1Other Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 1013.14 | Num_heavy_atoms: | 71 |
| TPSA: | 302.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD01997
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD19173
Formula: C5H9O4N
Smiles:
CCOC(=O)CNC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
AD19174
Formula: C6H11O4N
Smiles:
CCOC(=O)CNC(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 161.16 | Num_heavy_atoms: | 11 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
