Glycoside
...
GD140996

Name:
5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,8a,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid

Formula:
C46H74O17

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C7CCC8(C)C(O)CC(C)(C)CC8C7=CCC65)C4(C)CO)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.93
AlogP: 0.95 Num_rotatable_bonds: 8
MolWt: 899.08 Num_heavy_atoms: 63
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD51925
Formula: C29H48O3

Smiles:
CC1(C)CC(O)C2(C)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 5.72 Num_rotatable_bonds: 1
MolWt: 444.7 Num_heavy_atoms: 32
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00541

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O