Glycoside
GD001170
Name:
NoneFormula:
C42H78O12N2Smiles:
CCCN1C(C)O[C@@H]2[C@H](C)[C@H]1[C@H](C)C[C@@](C)(O)[C@H](OC1OC(C)CC(N(C)C)C1O)[C@H](C)[C@H](OC1CC(C)(OC)C(O)C(C)O1)[C@H](C)C(=O)O[C@H](CC)[C@]2(C)OAglycone:
CCCN1C(C)OC2C(C)C1C(C)CC(C)(O)C(OC1OC(C)CC(N(C)C)C1O)C(C)C(O)C(C)C(=O)OC(CC)C2(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 803.09 | Num_heavy_atoms: | 56 |
| TPSA: | 169.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD01219
Formula: C34H64O9N2
Smiles:
CCCN1C(C)OC2C(C)C1C(C)CC(C)(O)C(OC1OC(C)CC(N(C)C)C1O)C(C)C(O)C(C)C(=O)OC(CC)C2(C)O| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.89 | Num_heavy_atoms: | 45 |
| TPSA: | 141.39 | NumAromaticRings: | 0 |
