Glycoside
...
GD150182

Name:
28-deoxystambomycin d

Formula:
C72H131O21N

Smiles:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(OC3OC(C)C(O)C(N(C)C)C3O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCCC1O)O2

Aglycone:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCCC1O)O2

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 5.29 Num_rotatable_bonds: 8
MolWt: 1346.83 Num_heavy_atoms: 94
TPSA: 380.91 NumAromaticRings: 0

Unique Aglycone
AD60005
Formula: C64H116O18

Smiles:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCCC1O)O2
HBA: 18 RingCount: 2
HBD: 15 FractionCSP3: 0.86
AlogP: 5.87 Num_rotatable_bonds: 5
MolWt: 1173.61 Num_heavy_atoms: 82
TPSA: 338.98 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O