Glycoside
...
GD034096

Name:
None

Formula:
C53H78O24

Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(CC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(O)(CO)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:
Cc1c(CC2CC(O)C(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(OC2CC(OC3CC(O)(CO)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 12 FractionCSP3: 0.77
AlogP: -1.07 Num_rotatable_bonds: 16
MolWt: 1099.18 Num_heavy_atoms: 77
TPSA: 369.2 NumAromaticRings: 2

Unique Aglycone
AD12879
Formula: C22H26O7

Smiles:
Cc1c(CC2CC(O)C(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.5
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 402.44 Num_heavy_atoms: 29
TPSA: 127.45 NumAromaticRings: 2

Sugarmoiety
SD02195

CC1OC(O)CC(O)C1O.CC1OC(O)CC(OC2CC(OC3CC(O)(CO)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O