Glycoside
GD143482
Name:
3H-naphtho[2,3-e]indol-1-yl 4,5-dihydroxy-5-(1-hydroxycyclopentyl)-3-(3-hydroxypropoxy)oxolane-2-carboxylateFormula:
C29H31O8NSmiles:
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CCCC2)C(O)C1OCCCOAglycone:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12.OC1CCCC1.OCCCOSugarmoiety:
OCCCOOOC(O)(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 521.57 | Num_heavy_atoms: | 38 |
| TPSA: | 141.47 | 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 |
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 |
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 |
