Glycoside
...
GD012352

Name:
2-{[2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H72O15

Smiles:
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@]23C)O1

Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 10 FractionCSP3: 1.0
AlogP: 0.33 Num_rotatable_bonds: 8
MolWt: 817.02 Num_heavy_atoms: 57
TPSA: 248.45 NumAromaticRings: 0

Unique Aglycone
AD00139
Formula: C30H52O5

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00114

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O