Glycoside
GD125996
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C23H21O8NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OAglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 439.42 | Num_heavy_atoms: | 32 |
| 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 |
