Glycoside
GD121696
Name:
3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[(3-methyl-6-phenylhex-5-en-1-yl)azaniumyl]methyl}oxane-2-carboxylateFormula:
C35H37O10NSmiles:
CC(CC=Cc1ccccc1)CCNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1OAglycone:
CNCCC(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: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 631.68 | Num_heavy_atoms: | 46 |
| TPSA: | 178.92 | 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 |
AD48999
Formula: C14H21N
Smiles:
CNCCC(C)CC=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 203.33 | Num_heavy_atoms: | 15 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
