Glycoside
GD028760
Name:
NoneFormula:
C35H35O12NSmiles:
CN[C@@H]1[C@H](O[C@@H]2c3cc4c(cc3[C@@H]3[C@H]2OC(=O)[C@]32C(=O)C=Cc3c(C)cc(OC)cc32)[C@](O)(C2COC(=O)O2)C=C4)O[C@H](C)[C@H](O)[C@H]1OAglycone:
COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4Sugarmoiety:
CNC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 661.66 | Num_heavy_atoms: | 48 |
| TPSA: | 179.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00173
Formula: C28H22O9
Smiles:
COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.48 | Num_heavy_atoms: | 37 |
| TPSA: | 128.59 | NumAromaticRings: | 2 |
