Glycoside
GD138222
Name:
d6-o-acetyl-acarviostatin i03Formula:
C40H67O28NSmiles:
CC(=O)OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(C)C1OC1OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COC(C)=O.NC1C=C(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 6 |
| HBD: | 18 | FractionCSP3: | 0.93 |
| AlogP: | -11.07 | Num_rotatable_bonds: | 16 |
| MolWt: | 1009.96 | Num_heavy_atoms: | 69 |
| TPSA: | 465.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02201
Formula: C7H13O4N
Smiles:
NC1C=C(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
Sugarmoiety
SD07783
CC1OC(OC2C(O)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2C)C(O)C(O)C1O