Glycoside
GD009032
Name:
NoneFormula:
C62H63O15P3Smiles:
O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
COCc1ccccc1.O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(O)(OCc1ccccc1)OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 14.93 | Num_rotatable_bonds: | 31 |
| MolWt: | 1141.09 | Num_heavy_atoms: | 80 |
| TPSA: | 161.97 | NumAromaticRings: | 8 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07135
Formula: C14H15O4P
Smiles:
O=P(O)(OCc1ccccc1)OCc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 278.24 | Num_heavy_atoms: | 19 |
| TPSA: | 55.76 | NumAromaticRings: | 2 |
