Glycoside
GD141397
Name:
5,7-dihydroxy-6,8-bis[(4-methylpiperidin-1-yl)methyl]-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C35H46O10N2Smiles:
CC1CCN(Cc2c(O)c(CN3CCC(C)CC3)c3occ(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)c(=O)c3c2O)CC1Aglycone:
CC1CCN(Cc2c(O)c(CN3CCC(C)CC3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.76 | Num_heavy_atoms: | 47 |
| TPSA: | 176.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD56969
Formula: C29H36O5N2
Smiles:
CC1CCN(Cc2c(O)c(CN3CCC(C)CC3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)CC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.62 | Num_heavy_atoms: | 36 |
| TPSA: | 97.38 | NumAromaticRings: | 3 |
