Glycoside
...
GD114861

Name:
2,2,6a,6b,9,9,12a-heptamethyl-3-[(3-phenylprop-2-enoyl)oxy]-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C45H64O10

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.73
AlogP: 6.29 Num_rotatable_bonds: 7
MolWt: 765.0 Num_heavy_atoms: 55
TPSA: 162.98 NumAromaticRings: 1

Unique Aglycone
AD02167
Formula: C39H54O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.69
AlogP: 8.47 Num_rotatable_bonds: 4
MolWt: 602.86 Num_heavy_atoms: 44
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O