Glycoside
GD129633
Name:
3H-naphtho[2,3-e]indol-1-yl 5-(1,3-dihydroxycyclopentyl)-4,5-dihydroxy-3-(3-hydroxypropoxy)oxolane-2-carboxylateFormula:
C29H31O9NSmiles:
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CCC(O)C2)C(O)C1OCCCOAglycone:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12.OC1CCC(O)C1.OCCCOSugarmoiety:
OCCCOOOC(O)(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 537.57 | Num_heavy_atoms: | 39 |
| TPSA: | 161.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD03058
Formula: C3H8O2
Smiles:
OCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD47969
Formula: C17H11O2N
Smiles:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.28 | Num_heavy_atoms: | 20 |
| TPSA: | 42.09 | NumAromaticRings: | 4 |
AD51746
Formula: C5H10O2
Smiles:
OC1CCC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
