Glycoside
...
GD126587

Name:
Saquayamycin Z

Formula:
C72H102O29

Smiles:
CC1OC(OC2CCC(OC3C(O)CC(OC4C(O)CC(c5ccc6c(=O)c7c(oc6c5O)C=CC5(O)CC(C)(OC6CCC(OC8CC(OC9CCC(OC%10CC(OC%11CCC(O)C(C)O%11)C(O)C(C)O%10)C(C)O9)C(O)C(C)O8)C(C)O6)CC(=O)C75O)OC4C)OC3C)OC2C)C=CC1=O

Aglycone:
CC1OC(O)CCC1O.CC1OC(O)CCC1O.CC1OC(OC2(C)CC(=O)C3(O)c4c(oc5c(O)c(C6CC(O)C(O)C(C)O6)ccc5c4=O)C=CC3(O)C2)CCC1O.CC1OC(OC2CCC(O)OC2C)C=CC1=O

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CCC1O

Other Identifiers

Properties
HBA: 29 RingCount: 13
HBD: 8 FractionCSP3: 0.79
AlogP: 4.31 Num_rotatable_bonds: 17
MolWt: 1431.58 Num_heavy_atoms: 101
TPSA: 383.1 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
AD51233
Formula: C30H36O12

Smiles:
CC1OC(OC2(C)CC(=O)C3(O)c4c(oc5c(O)c(C6CC(O)C(O)C(C)O6)ccc5c4=O)C=CC3(O)C2)CCC1O
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.6
AlogP: 1.04 Num_rotatable_bonds: 3
MolWt: 588.61 Num_heavy_atoms: 42
TPSA: 196.35 NumAromaticRings: 2
AD51234
Formula: C12H18O5

Smiles:
CC1OC(OC2CCC(O)OC2C)C=CC1=O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.75
AlogP: 0.76 Num_rotatable_bonds: 2
MolWt: 242.27 Num_heavy_atoms: 17
TPSA: 64.99 NumAromaticRings: 0

Sugarmoiety
SD06650

CC1OC(O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CCC1O