Glycoside
GD118563
Name:
Dracotanoside CFormula:
C31H41O7N3Smiles:
CC1OC(Oc2ccc(C3CC(O)=NCCCN(C(=O)C=Cc4ccccc4)CCCCN3)cc2)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccccc1)N1CCCCNC(c2ccc(O)cc2)CC(O)=NCCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 567.68 | Num_heavy_atoms: | 41 |
| TPSA: | 144.08 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
