Glycoside
GD140332
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 5-[1,4-dihydroxy-2-(hydroxymethyl)cyclopentyl]-4,5-dihydroxy-3-(3-hydroxypropoxy)oxolane-2-carboxylateFormula:
C31H35O11NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CC(O)CC2CO)C(O)C1OCCCOAglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCC1CC(O)CC1O.OCCCOSugarmoiety:
OCCCOOOC(O)(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 597.62 | Num_heavy_atoms: | 43 |
| TPSA: | 202.16 | 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 |
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 |
AD45337
Formula: C6H12O3
Smiles:
OCC1CC(O)CC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
