Glycoside
GD019867
Name:
NoneFormula:
C46H81O17NSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)[C@H](CC=O)C[C@H](C)C(=O)CCC(C)C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)CCC(C)CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 13 |
| MolWt: | 920.14 | Num_heavy_atoms: | 64 |
| TPSA: | 238.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD04866
Formula: C23H40O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)CCC(C)CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.57 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
