Glycoside
...
GD116928

Name:
N-{2-[(6-{[5a-hydroxy-11-methoxy-6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-[(6-{[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3-acetamido-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide

Formula:
C62H100O27N2

Smiles:
COC1CC2C(=C3CCC(C(C)CC(=O)C=C(C)C)C31C)CCC1(O)C(C)(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C3OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)CCC21C

Aglycone:
COC1CC2C(=C3CCC(C(C)CC(=O)C=C(C)C)C31C)CCC1(O)C(C)(C)C(O)CCC21C

Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 15 FractionCSP3: 0.89
AlogP: -1.62 Num_rotatable_bonds: 20
MolWt: 1305.47 Num_heavy_atoms: 91
TPSA: 446.77 NumAromaticRings: 0

Unique Aglycone
AD46534
Formula: C30H48O4

Smiles:
COC1CC2C(=C3CCC(C(C)CC(=O)C=C(C)C)C31C)CCC1(O)C(C)(C)C(O)CCC21C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.83
AlogP: 6.01 Num_rotatable_bonds: 5
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD04739

CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O