Glycoside
GD151980
Name:
3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[({3-methyl-6-phenyl-2-[(propylamino)methyl]hex-5-en-1-yl}amino)methyl]oxane-2-carboxylic acidFormula:
C39H46O10N2Smiles:
CCCNCC(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1O)C(C)CC=Cc1ccccc1Aglycone:
CCCNCC(CNC)C(C)CC=Cc1ccccc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 16 |
| MolWt: | 702.8 | Num_heavy_atoms: | 51 |
| TPSA: | 190.95 | NumAromaticRings: | 4 |
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 |
AD60552
Formula: C18H30N2
Smiles:
CCCNCC(CNC)C(C)CC=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 274.45 | Num_heavy_atoms: | 20 |
| TPSA: | 24.06 | NumAromaticRings: | 1 |
