Glycoside
GD150573
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 3,4,5-trihydroxy-5-[1-hydroxy-2-(hydroxymethyl)-4-[(methylamino)methyl]cyclopentyl]oxolane-2-carboxylateFormula:
C30H34O9N2Smiles:
CNCC1CC(CO)C(O)(C2(O)OC(C(=O)Oc3c(CO)[nH]c4ccc5cc6ccccc6cc5c34)C(O)C2O)C1Aglycone:
CNCC1CC(O)C(CO)C1.O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.61 | Num_heavy_atoms: | 41 |
| TPSA: | 184.73 | 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 |
AD60130
Formula: C8H17O2N
Smiles:
CNCC1CC(O)C(CO)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 159.23 | Num_heavy_atoms: | 11 |
| TPSA: | 52.49 | NumAromaticRings: | 0 |
