Glycoside
GD154685
Name:
Hapepunine 3-O-Beta-CellobiosideFormula:
C40H67O12NSmiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC32C)N(C)C1Aglycone:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)N(C)C1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 753.97 | Num_heavy_atoms: | 53 |
| TPSA: | 202.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD45574
Formula: C28H47O2N
Smiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)N(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.69 | Num_heavy_atoms: | 31 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
