Glycoside
GD000382
Name:
NoneFormula:
C39H73O14NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC(C)O)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.01 | Num_heavy_atoms: | 54 |
| TPSA: | 217.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD00432
Formula: C31H59O11N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC(C)O)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 621.81 | Num_heavy_atoms: | 43 |
| TPSA: | 189.61 | NumAromaticRings: | 0 |
