Glycoside
GD037486
Name:
NoneFormula:
C39H47O16NSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]3CCC(=O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1Aglycone:
CC1OC(O)CCC1=O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 785.8 | Num_heavy_atoms: | 56 |
| TPSA: | 260.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00014
Formula: C6H10O3
Smiles:
CC1OC(O)CCC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD10939
Formula: C27H29O11N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 543.53 | Num_heavy_atoms: | 39 |
| TPSA: | 206.07 | NumAromaticRings: | 2 |
