Glycoside
GD037331
Name:
NoneFormula:
C34H41O14NSmiles:
CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N)[C@H](O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(OC2CC(N)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 687.7 | Num_heavy_atoms: | 49 |
| TPSA: | 244.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD23526
Formula: C28H31O11N
Smiles:
CCC1(O)CC(OC2CC(N)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 557.55 | Num_heavy_atoms: | 40 |
| TPSA: | 206.07 | NumAromaticRings: | 2 |
