Glycoside
GD130834
Name:
methyl 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}-9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C37H40O15N2Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C(C(=O)OC)C1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 752.73 | Num_heavy_atoms: | 54 |
| TPSA: | 214.17 | NumAromaticRings: | 3 |
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 |
AD21538
Formula: C23H22O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)OC)cc2c1[nH]c1ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.44 | Num_heavy_atoms: | 31 |
| TPSA: | 110.74 | NumAromaticRings: | 3 |
