Glycoside
GD133756
Name:
methyl 3-ethenyl-4-({9H-pyrido[3,4-b]indol-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C37H38O12N2Smiles:
C=CC1C(OC2OC(COC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(O)C2O)OC=C(C(=O)OC)C1Cc1nccc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nccc2c1[nH]c1ccccc12.COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 702.71 | Num_heavy_atoms: | 51 |
| TPSA: | 199.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD54119
Formula: C21H20O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nccc2c1[nH]c1ccccc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.4 | Num_heavy_atoms: | 27 |
| TPSA: | 84.44 | NumAromaticRings: | 3 |
