Glycoside
...
GD037272

Name:
cyphomycin

Formula:
C77H122O26

Smiles:
CC[C@H](O[C@@H]1C[C@@](C)(O)[C@H](O[C@@H]2CC[C@H](OC(=O)[C@H](C)[C@H](O)c3ccc4c(c3)C(=O)C=C(C)C4=O)[C@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1OC(=O)C=C[C@H](C)[C@H](O)C[C@H](O)CCC[C@H](O)CC[C@H](C)[C@H](O)C(=O)[C@]2(O)C[C@H](O)C[C@H](C[C@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)C=C[C@H]1C)O2

Aglycone:
CC1=CC(=O)c2cc(C(O)C(C)C(=O)OC3CCC(O)OC3C)ccc2C1=O.CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)O2

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

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 14 FractionCSP3: 0.78
AlogP: 5.13 Num_rotatable_bonds: 15
MolWt: 1463.8 Num_heavy_atoms: 103
TPSA: 433.18 NumAromaticRings: 1

Unique Aglycone
AD19775
Formula: C21H24O7

Smiles:
CC1=CC(=O)c2cc(C(O)C(C)C(=O)OC3CCC(O)OC3C)ccc2C1=O
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 2.11 Num_rotatable_bonds: 4
MolWt: 388.42 Num_heavy_atoms: 28
TPSA: 110.13 NumAromaticRings: 1
AD23491
Formula: C49H88O17

Smiles:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)CC(O)CC(CC(O)CC(O)CC(O)CCCC(O)C=CC1C)O2
HBA: 17 RingCount: 2
HBD: 13 FractionCSP3: 0.88
AlogP: 1.7 Num_rotatable_bonds: 7
MolWt: 949.23 Num_heavy_atoms: 66
TPSA: 315.59 NumAromaticRings: 0

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O