Glycoside
GD116999
Name:
Maclekarpine DFormula:
C27H29O10NSmiles:
COc1ccc2c(c1OC)C(C(O)C1(O)OCC(O)C(O)C1O)N(C)c1c-2ccc2cc3c(cc12)OCO3Aglycone:
COc1ccc2c(c1OC)C(CO)N(C)c1c-2ccc2cc3c(cc12)OCO3Sugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 150.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD46576
Formula: C22H21O5N
Smiles:
COc1ccc2c(c1OC)C(CO)N(C)c1c-2ccc2cc3c(cc12)OCO3| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 379.41 | Num_heavy_atoms: | 28 |
| TPSA: | 60.39 | NumAromaticRings: | 3 |
