Glycoside
GD011312
Name:
NoneFormula:
C34H31O13N3Smiles:
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)OCc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)cc4)cccc3nc2-1Aglycone:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)OCc4ccc(O)cc4)cccc3nc2-1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 689.63 | Num_heavy_atoms: | 50 |
| TPSA: | 236.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD08659
Formula: C28H23O7N3
Smiles:
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)OCc4ccc(O)cc4)cccc3nc2-1| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 513.51 | Num_heavy_atoms: | 38 |
| TPSA: | 139.98 | NumAromaticRings: | 4 |
