Glycoside
...
GD017377

Name:
VANCORESMYCIN

Formula:
C71H126O21N2

Smiles:
CC(=CCC(O)CC(O)CCC(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)=CC(C)C(=O)C(C)=CC(O)C(O)CC(O)CC(OC1OC(C)C(O)C(N)C1O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C1=C(O)C(=CC(C)C)N(C)C1=O

Aglycone:
CC(=CCC(O)CC(O)CCC(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)=CC(C)C(=O)C(C)=CC(O)C(O)CC(O)CC(O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C1=C(O)C(=CC(C)C)N(C)C1=O

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

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 18 FractionCSP3: 0.82
AlogP: 4.23 Num_rotatable_bonds: 44
MolWt: 1343.78 Num_heavy_atoms: 94
TPSA: 422.61 NumAromaticRings: 0

Unique Aglycone
AD12404
Formula: C65H115O18N

Smiles:
CC(=CCC(O)CC(O)CCC(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)=CC(C)C(=O)C(C)=CC(O)C(O)CC(O)CC(O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C1=C(O)C(=CC(C)C)N(C)C1=O
HBA: 19 RingCount: 1
HBD: 15 FractionCSP3: 0.8
AlogP: 5.41 Num_rotatable_bonds: 42
MolWt: 1198.62 Num_heavy_atoms: 84
TPSA: 357.9 NumAromaticRings: 0

Sugarmoiety
SD00205

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