Glycoside
GD158310
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3,4,5-trihydroxy-5-[2-hydroxy-3-(hydroxymethyl)spiro[4.4]nonan-2-yl]oxolane-2-carboxylateFormula:
C32H35O9NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CC3(CCCC3)CC2CO)C(O)C1OAglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCC1CC2(CCCC2)CC1OSugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 577.63 | Num_heavy_atoms: | 42 |
| TPSA: | 172.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD45336
Formula: C18H13O3N
Smiles:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.31 | Num_heavy_atoms: | 22 |
| TPSA: | 62.32 | NumAromaticRings: | 4 |
AD62502
Formula: C10H18O2
Smiles:
OCC1CC2(CCCC2)CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
