Glycoside
GD033045
Name:
NoneFormula:
C30H33O13N3Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OAglycone:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 643.6 | Num_heavy_atoms: | 46 |
| TPSA: | 213.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD21120
Formula: C24H23O8N3
Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 481.46 | Num_heavy_atoms: | 35 |
| TPSA: | 134.39 | NumAromaticRings: | 3 |
