Glycoside
GD143382
Name:
methyl 2-acetyl-1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C39H46O16N2Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(C(=O)OC)N1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(C(=O)OC)N1C(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.51 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 12 |
| MolWt: | 798.79 | Num_heavy_atoms: | 57 |
| TPSA: | 221.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57673
Formula: C25H28O7N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(C(=O)OC)N1C(C)=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.51 | Num_heavy_atoms: | 34 |
| TPSA: | 118.16 | NumAromaticRings: | 2 |
