Glycoside
...
GD131951

Name:
Saccharocarcin D

Formula:
C67H101O19N

Smiles:
CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(OC6CC(OC7CCC(O)C(C)O7)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(C1)OC3=O

Aglycone:
CC1OC(O)CCC1O.CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(C1)OC3=O

Sugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 6 FractionCSP3: 0.81
AlogP: 8.47 Num_rotatable_bonds: 12
MolWt: 1224.53 Num_heavy_atoms: 87
TPSA: 269.41 NumAromaticRings: 0

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
AD48570
Formula: C49H71O11N

Smiles:
CCC1C=CC2C=C(C)C(OC3CC(C)(O)C(N=C(C)O)C(C)O3)C(C)C=C(C)C3C=CC4C(OC5CCC(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(C1)OC3=O
HBA: 12 RingCount: 7
HBD: 4 FractionCSP3: 0.73
AlogP: 7.8 Num_rotatable_bonds: 6
MolWt: 850.1 Num_heavy_atoms: 61
TPSA: 173.57 NumAromaticRings: 0

Sugarmoiety
SD00663

CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O