Glycoside
GD141807
Name:
[3,4,5-tris(acetyloxy)-6-{[3,10-bis(acetyloxy)-5-{[4-(acetyloxy)phenyl]methyl}-11-methoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-4-yl]oxy}oxan-2-yl]methyl acetateFormula:
C45H49O17NSmiles:
COc1cc2c(cc1OC(C)=O)CCN1C2Cc2ccc(OC(C)=O)c(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2C1Cc1ccc(OC(C)=O)cc1Aglycone:
COC(C)=O.COc1cc2c(cc1OC(C)=O)CCN1C2Cc2ccc(OC(C)=O)c(O)c2C1Cc1ccc(OC(C)=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 875.88 | Num_heavy_atoms: | 63 |
| TPSA: | 215.03 | 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 |
AD57099
Formula: C31H31O8N
Smiles:
COc1cc2c(cc1OC(C)=O)CCN1C2Cc2ccc(OC(C)=O)c(O)c2C1Cc1ccc(OC(C)=O)cc1| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 545.59 | Num_heavy_atoms: | 40 |
| TPSA: | 111.6 | NumAromaticRings: | 3 |
