Glycoside
GD157373
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 5-[3-(ethylamino)-1-hydroxycyclopentyl]-3,4,5-trihydroxyoxolane-2-carboxylateFormula:
C29H32O8N2Smiles:
CCNC1CCC(O)(C2(O)OC(C(=O)Oc3c(CO)[nH]c4ccc5cc6ccccc6cc5c34)C(O)C2O)C1Aglycone:
CCNC1CCC(O)C1.O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 536.58 | Num_heavy_atoms: | 39 |
| TPSA: | 164.5 | 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 |
AD57367
Formula: C7H15ON
Smiles:
CCNC1CCC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
