Glycoside
...
GD137507

Name:
Obelmycin D

Formula:
C60H88O23N2

Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(O)C(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O

Aglycone:
CC1OC(O)CCC1O.CC1OC(O)CCC1O.CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 10
HBD: 9 FractionCSP3: 0.77
AlogP: 3.38 Num_rotatable_bonds: 15
MolWt: 1205.36 Num_heavy_atoms: 85
TPSA: 333.45 NumAromaticRings: 2

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD46767
Formula: C36H48O13N2

Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.61
AlogP: 1.8 Num_rotatable_bonds: 7
MolWt: 716.78 Num_heavy_atoms: 51
TPSA: 219.15 NumAromaticRings: 2

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O