Glycoside
GD155684
Name:
methyl 3-ethenyl-4-({9H-pyrido[3,4-b]indol-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C38H40O13N2Smiles:
C=CC1C(OC2OC(COC(=O)C=Cc3cc(OC)c(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=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 732.74 | Num_heavy_atoms: | 53 |
| TPSA: | 208.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | 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 |
