Glycoside
GD140804
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3-{[2,2-dihydroxy-8a-(4-hydroxyphenyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C40H41O11NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OCC1C(O)(O)C=CC2CCCCC21c1ccc(O)cc1Aglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCC1C(O)(O)C=CC2CCCCC21c1ccc(O)cc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 711.76 | Num_heavy_atoms: | 52 |
| TPSA: | 202.16 | NumAromaticRings: | 5 |
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 |
AD56770
Formula: C17H22O4
Smiles:
OCC1C(O)(O)C=CC2CCCCC21c1ccc(O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.36 | Num_heavy_atoms: | 21 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
