Glycoside
GD132146
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(1H-indol-3-yl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C34H33O13NSmiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3-c3c[nH]c4ccccc34)OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 663.63 | Num_heavy_atoms: | 48 |
| TPSA: | 195.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD53499
Formula: C25H21O5N
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3c[nH]c4ccccc34)OCC21| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 415.45 | Num_heavy_atoms: | 31 |
| TPSA: | 72.94 | NumAromaticRings: | 4 |
