Glycoside
GD147164
Name:
2-{5-carboxy-3-oxo-2H,3H,5H,6H,11H-indolo[3,2-g]indolizin-2-ylidene}-3-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,3H,5H,6H,11H-indolo[3,2-g]indolizine-5-carboxylic acidFormula:
C36H30O11N4Smiles:
O=C(O)C1Cc2c([nH]c3ccccc23)C2=CC(=C3C=C4c5c(c6ccccc6n5C5OC(CO)C(O)C(O)C5O)CC(C(=O)O)N4C3=O)C(=O)N21Aglycone:
O=C(O)C1Cc2c([nH]c3ccccc23)C2=CC(=C3C=C4c5[nH]c6ccccc6c5CC(C(=O)O)N4C3=O)C(=O)N21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 694.65 | Num_heavy_atoms: | 51 |
| TPSA: | 226.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD58947
Formula: C30H20O6N4
Smiles:
O=C(O)C1Cc2c([nH]c3ccccc23)C2=CC(=C3C=C4c5[nH]c6ccccc6c5CC(C(=O)O)N4C3=O)C(=O)N21| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.51 | Num_heavy_atoms: | 40 |
| TPSA: | 146.8 | NumAromaticRings: | 4 |
