Glycoside
GD148343
Name:
1H-indol-3-yl 3,4,5-trihydroxy-5-(1-hydroxycyclopentyl)oxolane-2-carboxylateFormula:
C18H21O7NSmiles:
O=C(Oc1c[nH]c2ccccc12)C1OC(O)(C2(O)CCCC2)C(O)C1OAglycone:
O=COc1c[nH]c2ccccc12.OC1CCCC1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.37 | Num_heavy_atoms: | 26 |
| TPSA: | 132.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD53018
Formula: C9H7O2N
Smiles:
O=COc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 42.09 | NumAromaticRings: | 2 |
