Glycoside
...
GD157991

Name:
28-deoxystambomycin c

Formula:
C72H131O21N

Smiles:
CC1=CC(CCCC(C)C)C(O)CCCC(O)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)C=CC(C)OC(=O)CC2(O)OC(CC(OC3OC(C)C(O)C(N(C)C)C3O)C2C)C(C)C(O)C(C)=CC=CCC(O)C(C)C(O)CCCC(O)CC1O

Aglycone:
CC1=CC(CCCC(C)C)C(O)CCCC(O)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)C=CC(C)OC(=O)CC2(O)OC(CC(O)C2C)C(C)C(O)C(C)=CC=CCC(O)C(C)C(O)CCCC(O)CC1O

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

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 5.14 Num_rotatable_bonds: 7
MolWt: 1346.83 Num_heavy_atoms: 94
TPSA: 380.91 NumAromaticRings: 0

Unique Aglycone
AD62398
Formula: C64H116O18

Smiles:
CC1=CC(CCCC(C)C)C(O)CCCC(O)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)C=CC(C)OC(=O)CC2(O)OC(CC(O)C2C)C(C)C(O)C(C)=CC=CCC(O)C(C)C(O)CCCC(O)CC1O
HBA: 18 RingCount: 2
HBD: 15 FractionCSP3: 0.86
AlogP: 5.72 Num_rotatable_bonds: 4
MolWt: 1173.61 Num_heavy_atoms: 82
TPSA: 338.98 NumAromaticRings: 0

Sugarmoiety
SD00048

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