Glycoside
GD004404
Name:
NoneFormula:
C33H35O6NSmiles:
CN[C@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@H]1O[C@@H]1c2cc3ccccc3cc2[C@@H]2[C@H]1CC[C@]21C(=O)C=Cc2ccc(OC)cc21Aglycone:
COc1ccc2c(c1)C1(CCC3C(O)c4cc5ccccc5cc4C31)C(=O)C=C2Sugarmoiety:
CNC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 541.64 | Num_heavy_atoms: | 40 |
| TPSA: | 97.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD03851
Formula: C26H22O3
Smiles:
COc1ccc2c(c1)C1(CCC3C(O)c4cc5ccccc5cc4C31)C(=O)C=C2| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.46 | Num_heavy_atoms: | 29 |
| TPSA: | 46.53 | NumAromaticRings: | 3 |
