Glycoside
GD033094
Name:
NoneFormula:
C47H67O13N3Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](n3cc(CO[C@@H]5O[C@H](COC(C)(C)C)[C@H](OC(C)(C)C)[C@H](OC(C)(C)C)[C@H]5OC(C)(C)C)nn3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OCAglycone:
CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.COC(C)(C)C.COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.68 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 882.06 | Num_heavy_atoms: | 63 |
| TPSA: | 158.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD02940
Formula: C4H10O
Smiles:
CC(C)(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD15096
Formula: C5H12O
Smiles:
COC(C)(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD19532
Formula: C25H25O8N3
Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 11 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.49 | Num_heavy_atoms: | 36 |
| TPSA: | 123.39 | NumAromaticRings: | 3 |
