Glycoside
...
GD119214

Name:
methyl 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-{[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,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylate

Formula:
C54H88O22

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6OC(CO)C(O)C(O)C6O)C5(C)CCC34C)C2(C)CO)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 12 FractionCSP3: 0.94
AlogP: -0.74 Num_rotatable_bonds: 11
MolWt: 1089.28 Num_heavy_atoms: 76
TPSA: 342.9 NumAromaticRings: 0

Unique Aglycone
AD00828
Formula: C30H50O3

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 6.11 Num_rotatable_bonds: 1
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD05401

COC(=O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O