Glycoside
GD118398
Name:
Angudracanoside DFormula:
C38H58O16SSmiles:
C=C1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 802.93 | Num_heavy_atoms: | 55 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD08892
Formula: C27H40O5
Smiles:
C=C1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
