Glycoside
GD150414
Name:
5,7-dihydroxy-6,8-bis[(2-methylpiperidin-1-yl)methyl]-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C35H46O10N2Smiles:
CC1CCCCN1Cc1c(O)c(CN2CCCCC2C)c2occ(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)c(=O)c2c1OAglycone:
CC1CCCCN1Cc1c(O)c(CN2CCCCC2C)c2occ(-c3ccc(O)cc3)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.76 | Num_heavy_atoms: | 47 |
| TPSA: | 176.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD60086
Formula: C29H36O5N2
Smiles:
CC1CCCCN1Cc1c(O)c(CN2CCCCC2C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.62 | Num_heavy_atoms: | 36 |
| TPSA: | 97.38 | NumAromaticRings: | 3 |
