Glycoside
GD134351
Name:
3,4,5-trihydroxy-5-{hydroxy[(3-methylbutyl)amino]methyl}-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C27H31O11NSmiles:
CC(C)CCNC(O)C1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1OAglycone:
CC(C)CCNCO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 199.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD54357
Formula: C6H15ON
Smiles:
CC(C)CCNCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
