Glycoside
GD000078
Name:
NoneFormula:
C39H63O14NSmiles:
CC[C@@H]1OC(=O)CC(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@@H]2C[C@H](O)[C@](C)(C2)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(=O)C(C)C(O)C2CC(O)C(C)(C2)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 769.93 | Num_heavy_atoms: | 54 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00103
Formula: C23H34O7
Smiles:
CCC1OC(=O)CC(=O)C(C)C(O)C2CC(O)C(C)(C2)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
