Glycoside
...
GD125921

Name:
Stambomycin C

Formula:
C72H131O22N

Smiles:
CC1=CC(CCCC(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(CCCC(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: 4.11 Num_rotatable_bonds: 7
MolWt: 1362.83 Num_heavy_atoms: 95
TPSA: 401.14 NumAromaticRings: 0

Unique Aglycone
AD50927
Formula: C64H116O19

Smiles:
CC1=CC(CCCC(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: 4.69 Num_rotatable_bonds: 4
MolWt: 1189.61 Num_heavy_atoms: 83
TPSA: 359.21 NumAromaticRings: 0

Sugarmoiety
SD00048

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