Glycoside
GD006141
Name:
NoneFormula:
C44H44O12N2Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](OCC=Cc1ccc2c(c1)OCO2)[C@@H](O)[C@@H](O)[C@@H](OCC=Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
CC=Cc1ccc2c(c1)OCO2.CC=Cc1ccc2c(c1)OCO2.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 792.84 | Num_heavy_atoms: | 58 |
| TPSA: | 194.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD05110
Formula: C10H10O2
Smiles:
CC=Cc1ccc2c(c1)OCO2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
