Glycoside
GD121158
Name:
Acarviostatin I03Formula:
C36H61O28NSmiles:
CC1OC(OC2C(CO)OC(OC3C(O)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1OAglycone:
NC1C=C(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 6 |
| HBD: | 20 | FractionCSP3: | 0.94 |
| AlogP: | -12.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 955.86 | Num_heavy_atoms: | 65 |
| TPSA: | 479.47 | NumAromaticRings: | 0 |
Unique Aglycone
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
SD05769
CC1OC(OC2C(CO)OC(OC3C(O)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O