Glycoside
GD037469
Name:
NoneFormula:
C63H68O12N6Smiles:
O=c1ccc2cc(OCCCCCCn3cc(COC[C@@H]4O[C@H](OCc5cn(CCCCCCOc6ccc7oc(=O)ccc7c6)nn5)[C@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)nn3)ccc2o1Aglycone:
COCc1cn(CCCCCCOc2ccc3oc(=O)ccc3c2)nn1.O=c1ccc2cc(OCCCCCCn3cc(CO)nn3)ccc2o1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 10.58 | Num_rotatable_bonds: | 32 |
| MolWt: | 1101.27 | Num_heavy_atoms: | 81 |
| TPSA: | 195.68 | NumAromaticRings: | 9 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD23594
Formula: C19H23O4N3
Smiles:
COCc1cn(CCCCCCOc2ccc3oc(=O)ccc3c2)nn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 357.41 | Num_heavy_atoms: | 26 |
| TPSA: | 79.38 | NumAromaticRings: | 3 |
AD23595
Formula: C18H21O4N3
Smiles:
O=c1ccc2cc(OCCCCCCn3cc(CO)nn3)ccc2o1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 90.38 | NumAromaticRings: | 3 |
