Glycoside
GD032329
Name:
NoneFormula:
C39H41O20NSmiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](CO)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]1O)[C@H]3O)C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 843.74 | Num_heavy_atoms: | 60 |
| TPSA: | 348.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD13376
Formula: C28H23O12N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 565.49 | Num_heavy_atoms: | 41 |
| TPSA: | 231.15 | NumAromaticRings: | 3 |
