Glycoside
GD004466
Name:
NoneFormula:
C40H69O14NSmiles:
CC[C@@H]1OC(=O)C[C@H](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](CCOC)C[C@H](C)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)C(CCOC)CC(C)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: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 787.99 | Num_heavy_atoms: | 55 |
| TPSA: | 192.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD03898
Formula: C24H40O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOC)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.58 | Num_heavy_atoms: | 31 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
