Glycoside
GD125313
Name:
Dracotanoside BFormula:
C44H55O13N3Smiles:
CC1OC(Oc2ccc(C3CC(O)=NCCCN(C(=O)C=Cc4ccccc4)CCCCN3)cc2)C(OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)c1ccccc1.O=C(C=Cc1ccccc1)N1CCCCNC(c2ccc(O)cc2)CC(O)=NCCC1Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 833.93 | Num_heavy_atoms: | 60 |
| TPSA: | 229.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD47426
Formula: C25H31O3N3
Smiles:
O=C(C=Cc1ccccc1)N1CCCCNC(c2ccc(O)cc2)CC(O)=NCCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 421.54 | Num_heavy_atoms: | 31 |
| TPSA: | 85.16 | NumAromaticRings: | 2 |
