Glycoside
...
GD128962

Name:
28-deoxystambomycin b

Formula:
C73H133O21N

Smiles:
CC1=CC(CCCCC(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(CCCCC(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: 5.53 Num_rotatable_bonds: 8
MolWt: 1360.85 Num_heavy_atoms: 95
TPSA: 380.91 NumAromaticRings: 0

Unique Aglycone
AD52233
Formula: C65H118O18

Smiles:
CC1=CC(CCCCC(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: 6.11 Num_rotatable_bonds: 5
MolWt: 1187.64 Num_heavy_atoms: 83
TPSA: 338.98 NumAromaticRings: 0

Sugarmoiety
SD00048

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