Glycoside
GD006679
Name:
NoneFormula:
C43H53O18NSmiles:
COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(OC)C(C)(OC)C2OC)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC(C)=O)C(N(C)C)C1OC(C)=OAglycone:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC(C)=O)C(N(C)C)C1OC(C)=OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 871.89 | Num_heavy_atoms: | 62 |
| TPSA: | 241.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD05496
Formula: C33H35O14N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC(C)=O)C(N(C)C)C1OC(C)=O| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 669.64 | Num_heavy_atoms: | 48 |
| TPSA: | 215.66 | NumAromaticRings: | 2 |
