Glycoside
...
GD148324

Name:
Bis-Cephalezomine D

Formula:
C57H72O19N2

Smiles:
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCC(C4CC56C=C(OC)C(OC(=O)C(O)(CCC(C)C)C(O)C(=O)OC)C5c5cc7c(cc5CCN6C4=O)OCO7)N2CCc2cc4c(cc2C13)OCO4

Aglycone:
CCC(C)C.COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCC(C4CC56C=C(OC)CC5c5cc7c(cc5CCN6C4=O)OCO7)N2CCc2cc4c(cc2C13)OCO4

Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OO

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 4 FractionCSP3: 0.63
AlogP: 3.76 Num_rotatable_bonds: 18
MolWt: 1089.2 Num_heavy_atoms: 78
TPSA: 265.05 NumAromaticRings: 2

Unique Aglycone
AD00195
Formula: C5H12

Smiles:
CCC(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.05 Num_rotatable_bonds: 1
MolWt: 72.15 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD59362
Formula: C47H56O13N2

Smiles:
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCC(C4CC56C=C(OC)CC5c5cc7c(cc5CCN6C4=O)OCO7)N2CCc2cc4c(cc2C13)OCO4
HBA: 15 RingCount: 10
HBD: 2 FractionCSP3: 0.6
AlogP: 4.54 Num_rotatable_bonds: 11
MolWt: 856.97 Num_heavy_atoms: 62
TPSA: 171.99 NumAromaticRings: 2

Sugarmoiety
SD02189

COC(=O)C(O)C(O)(O)C(=O)OO