Glycoside
GD029420
Name:
KOMODOQUINONE AFormula:
C27H31O10NSmiles:
C[C@@H]1O[C@H](Oc2cccc3c2C(=O)c2c(O)c4c(c(O)c2C3=O)C[C@@](C)(O)C[C@H]4O)[C@H](O)[C@H](N(C)C)[C@H]1OAglycone:
CC1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 529.54 | Num_heavy_atoms: | 38 |
| TPSA: | 177.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD19138
Formula: C19H16O7
Smiles:
CC1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
