Glycoside
GD119453
Name:
NoneFormula:
C48H64O21N2Smiles:
COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC2CC(O)C(OC3CC(C)(N(O)O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)C(N(C)C)C1OAglycone:
CC1OC(O)CC(C)(N(O)O)C1O.COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1OSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 1005.03 | Num_heavy_atoms: | 71 |
| TPSA: | 322.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47859
Formula: C7H15O5N
Smiles:
CC1OC(O)CC(C)(N(O)O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.2 | Num_heavy_atoms: | 13 |
| TPSA: | 93.39 | NumAromaticRings: | 0 |
AD47860
Formula: C29H31O11N
Smiles:
COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 569.56 | Num_heavy_atoms: | 41 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
