Glycoside
GD015383
Name:
NoneFormula:
C41H51O16NSmiles:
COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(OC(C)=O)C(N(C)C)C2OC(C)=O)C(OC)C1(C)OCAglycone:
CC(=O)OC1C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C(OC(C)=O)C1N(C)CSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 813.85 | Num_heavy_atoms: | 58 |
| TPSA: | 215.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD11185
Formula: C31H33O12N
Smiles:
CC(=O)OC1C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C(OC(C)=O)C1N(C)C| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 611.6 | Num_heavy_atoms: | 44 |
| TPSA: | 189.36 | NumAromaticRings: | 2 |
