Glycoside
GD149077
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3-(3,3-dihydroxypropoxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C26H27O10NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OCCC(O)OAglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCCC(O)OSugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.5 | Num_heavy_atoms: | 37 |
| TPSA: | 181.93 | 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 |
AD48678
Formula: C3H8O3
Smiles:
OCCC(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
