Glycoside
...
GD130612

Name:
Stambomycin B

Formula:
C73H133O22N

Smiles:
CC1=CC(CCCCC(C)C)C(O)C(O)CCC(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)C(O)CCC(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: 23 RingCount: 3
HBD: 17 FractionCSP3: 0.88
AlogP: 4.5 Num_rotatable_bonds: 8
MolWt: 1376.85 Num_heavy_atoms: 96
TPSA: 401.14 NumAromaticRings: 0

Unique Aglycone
AD52929
Formula: C65H118O19

Smiles:
CC1=CC(CCCCC(C)C)C(O)C(O)CCC(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: 19 RingCount: 2
HBD: 16 FractionCSP3: 0.86
AlogP: 5.08 Num_rotatable_bonds: 5
MolWt: 1203.64 Num_heavy_atoms: 84
TPSA: 359.21 NumAromaticRings: 0

Sugarmoiety
SD00048

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