Glycoside
GD115748
Name:
1-{[5,7-dihydroxy-2-(2-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-8-yl]methyl}pyrrolidine-2-carboxylic acidFormula:
C33H39O17NSmiles:
CC1OC(OCC2OC(Oc3c(-c4ccccc4O)oc4c(CN5CCCC5C(=O)O)c(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)C1CCCN1Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3O)oc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 721.67 | Num_heavy_atoms: | 51 |
| TPSA: | 289.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD45849
Formula: C21H19O8N
Smiles:
O=C(O)C1CCCN1Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3O)oc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.38 | Num_heavy_atoms: | 30 |
| TPSA: | 151.67 | NumAromaticRings: | 3 |
