Glycoside
GD155873
Name:
{3,4,5-trihydroxy-6-[(4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H23O9NSmiles:
CC1=CC(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)N=C1OAglycone:
CC1=CC(O)N=C1O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.4 | Num_heavy_atoms: | 30 |
| TPSA: | 158.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48193
Formula: C5H7O2N
Smiles:
CC1=CC(O)N=C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
