Glycoside
GD003249
Name:
NoneFormula:
C43H53O17NSmiles:
COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(OC(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)Oc1c2c(cc3c1C(O)CC(C)(O)C3)C(=O)c1c3c(cc(O)c1C2=O)C1(C)OC(O3)C(OC(C)=O)C(N(C)C)C1OC(C)=OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 855.89 | Num_heavy_atoms: | 61 |
| TPSA: | 221.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD02960
Formula: C33H35O13N
Smiles:
CC(=O)Oc1c2c(cc3c1C(O)CC(C)(O)C3)C(=O)c1c3c(cc(O)c1C2=O)C1(C)OC(O3)C(OC(C)=O)C(N(C)C)C1OC(C)=O| HBA: | 14 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 653.64 | Num_heavy_atoms: | 47 |
| TPSA: | 195.43 | NumAromaticRings: | 2 |
