Glycoside
GD128140
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3,4,5-trihydroxy-5-{2-hydroxyspiro[4.4]nonan-2-yl}oxolane-2-carboxylateFormula:
C31H33O8NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CCC3(CCCC3)C2)C(O)C1OAglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OC1CCC2(CCCC2)C1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 547.6 | Num_heavy_atoms: | 40 |
| TPSA: | 152.47 | 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 |
AD51906
Formula: C9H16O
Smiles:
OC1CCC2(CCCC2)C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.23 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
